6-(4-chlorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]thieno[3,2-d]pyrimidin-4-amine

C20H24ClN5S — CID 133293089

IUPAC6-(4-chlorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]thieno[3,2-d]pyrimidin-4-amine
SMILESCC(CN1CCN(C)CC1)Nc1ncnc2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C20H24ClN5S/c1-14(12-26-9-7-25(2)8-10-26)24-20-19-17(22-13-23-20)11-18(27-19)15-3-5-16(21)6-4-15/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,22,23,24)
InChIKeyIFJPFKVHNIKYRY-UHFFFAOYSA-N
MW401.97 g/mol
LogP4.06
Rot. Bonds5

About 6-(4-chlorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]thieno[3,2-d]pyrimidin-4-amine

6-(4-chlorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 133293089) has the molecular formula C20H24ClN5S and a molecular weight of 401.97 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID133293089
Molecular FormulaC20H24ClN5S
Molecular Weight401.97 g/mol
Exact Mass401.14
IUPAC Name6-(4-chlorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]thieno[3,2-d]pyrimidin-4-amine
SMILESCC(CN1CCN(C)CC1)Nc1ncnc2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C20H24ClN5S/c1-14(12-26-9-7-25(2)8-10-26)24-20-19-17(22-13-23-20)11-18(27-19)15-3-5-16(21)6-4-15/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,22,23,24)
InChIKeyIFJPFKVHNIKYRY-UHFFFAOYSA-N
XLogP4.06
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.97
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]hydrazine
CID 16776537
6-(4-chlorophenyl)-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]thieno[3,2-d]pyrimidin-4-amine
CID 97001140
1-[3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 9104532
2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[3,2-b]pyridin-7-amine
CID 89438907
6-phenyl-N-(1-phenylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 18382769
6-(4-chlorophenyl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]thieno[3,2-d]pyrimidin-4-amine
CID 133344290
6-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 167950243
6-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]thieno[3,2-d]pyrimidin-4-amine
CID 41176660
6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]thieno[3,2-d]pyrimidin-4-amine
CID 118969812
6-(4-chlorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 133400003
4-[[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]oxan-4-ol
CID 133299493
6-(4-chlorophenyl)-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 24607009

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-(4-chlorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]thieno[3,2-d]pyrimidin-4-amine (CID 133293089) is 6-(4-chlorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-(4-chlorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]thieno[3,2-d]pyrimidin-4-amine is CC(CN1CCN(C)CC1)Nc1ncnc2cc(-c3ccc(Cl)cc3)sc12.
What is the InChIKey of 6-(4-chlorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is IFJPFKVHNIKYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5S/c1-14(12-26-9-7-25(2)8-10-26)24-20-19-17(22-13-23-20)11-18(27-19)15-3-5-16(21)6-4-15/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,22,23,24).
What are the key properties of 6-(4-chlorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]thieno[3,2-d]pyrimidin-4-amine?
6-(4-chlorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 401.97 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 133293089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).