4-chloro-6-(2-methylpropyl)thieno[2,3-d]pyrimidine;1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine;N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine

C46H59ClF2N8S2 — CID 159770873

IUPAC4-chloro-6-(2-methylpropyl)thieno[2,3-d]pyrimidine;1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine;N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)Cc1cc2c(Cl)ncnc2s1.CC(C)Cc1cc2c(NC3CCN(C(C)c4cccc(F)c4)CC3)ncnc2s1.CC(c1cccc(F)c1)N1CCC(N)CC1
InChIInChI=1S/C23H29FN4S.C13H19FN2.C10H11ClN2S/c1-15(2)11-20-13-21-22(25-14-26-23(21)29-20)27-19-7-9-28(10-8-19)16(3)17-5-4-6-18(24)12-17;1-10(11-3-2-4-12(14)9-11)16-7-5-13(15)6-8-16;1-6(2)3-7-4-8-9(11)12-5-13-10(8)14-7/h4-6,12-16,19H,7-11H2,1-3H3,(H,25,26,27);2-4,9-10,13H,5-8,15H2,1H3;4-6H,3H2,1-2H3
InChIKeyNGCCQCUZTHWDOA-UHFFFAOYSA-N
MW861.62 g/mol
LogP11.52
Rot. Bonds10

About 4-chloro-6-(2-methylpropyl)thieno[2,3-d]pyrimidine;1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine;N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine

4-chloro-6-(2-methylpropyl)thieno[2,3-d]pyrimidine;1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine;N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 159770873) has the molecular formula C46H59ClF2N8S2 and a molecular weight of 861.62 g/mol. Its IUPAC name is 4-chloro-6-(2-methylpropyl)thieno[2,3-d]pyrimidine;1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine;N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name4-chloro-6-(2-methylpropyl)thieno[2,3-d]pyrimidine;1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine;N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID159770873
Molecular FormulaC46H59ClF2N8S2
Molecular Weight861.62 g/mol
Exact Mass860.40
IUPAC Name4-chloro-6-(2-methylpropyl)thieno[2,3-d]pyrimidine;1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine;N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)Cc1cc2c(Cl)ncnc2s1.CC(C)Cc1cc2c(NC3CCN(C(C)c4cccc(F)c4)CC3)ncnc2s1.CC(c1cccc(F)c1)N1CCC(N)CC1
InChIInChI=1S/C23H29FN4S.C13H19FN2.C10H11ClN2S/c1-15(2)11-20-13-21-22(25-14-26-23(21)29-20)27-19-7-9-28(10-8-19)16(3)17-5-4-6-18(24)12-17;1-10(11-3-2-4-12(14)9-11)16-7-5-13(15)6-8-16;1-6(2)3-7-4-8-9(11)12-5-13-10(8)14-7/h4-6,12-16,19H,7-11H2,1-3H3,(H,25,26,27);2-4,9-10,13H,5-8,15H2,1H3;4-6H,3H2,1-2H3
InChIKeyNGCCQCUZTHWDOA-UHFFFAOYSA-N
XLogP11.52
TPSA96.09 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.62
LogP ≤ 511.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-chloro-6-(2-methylpropyl)thieno[2,3-d]pyrimidine;1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine;N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-methylpropyl)thieno[2,3-d]pyrimidine;1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine;N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 4-chloro-6-(2-methylpropyl)thieno[2,3-d]pyrimidine;1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine;N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine (CID 159770873) is 4-chloro-6-(2-methylpropyl)thieno[2,3-d]pyrimidine;1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine;N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 4-chloro-6-(2-methylpropyl)thieno[2,3-d]pyrimidine;1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine;N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 4-chloro-6-(2-methylpropyl)thieno[2,3-d]pyrimidine;1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine;N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine is CC(C)Cc1cc2c(Cl)ncnc2s1.CC(C)Cc1cc2c(NC3CCN(C(C)c4cccc(F)c4)CC3)ncnc2s1.CC(c1cccc(F)c1)N1CCC(N)CC1.
What is the InChIKey of 4-chloro-6-(2-methylpropyl)thieno[2,3-d]pyrimidine;1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine;N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NGCCQCUZTHWDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4S.C13H19FN2.C10H11ClN2S/c1-15(2)11-20-13-21-22(25-14-26-23(21)29-20)27-19-7-9-28(10-8-19)16(3)17-5-4-6-18(24)12-17;1-10(11-3-2-4-12(14)9-11)16-7-5-13(15)6-8-16;1-6(2)3-7-4-8-9(11)12-5-13-10(8)14-7/h4-6,12-16,19H,7-11H2,1-3H3,(H,25,26,27);2-4,9-10,13H,5-8,15H2,1H3;4-6H,3H2,1-2H3.
What are the key properties of 4-chloro-6-(2-methylpropyl)thieno[2,3-d]pyrimidine;1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine;N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine?
4-chloro-6-(2-methylpropyl)thieno[2,3-d]pyrimidine;1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine;N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 861.62 g/mol, XLogP of 11.52, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-methylpropyl)thieno[2,3-d]pyrimidine;1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine;N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 159770873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).