N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine

C18H25N5S — CID 133477608

IUPACN-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC(C)c3cn(C(C)(C)C)nc3C)ncnc2s1
InChIInChI=1S/C18H25N5S/c1-7-13-8-14-16(19-10-20-17(14)24-13)21-11(2)15-9-23(18(4,5)6)22-12(15)3/h8-11H,7H2,1-6H3,(H,19,20,21)
InChIKeyQOIFLSFJIRBAOS-UHFFFAOYSA-N
MW343.50 g/mol
LogP4.69
Rot. Bonds4

About N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine

N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 133477608) has the molecular formula C18H25N5S and a molecular weight of 343.50 g/mol. Its IUPAC name is N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID133477608
Molecular FormulaC18H25N5S
Molecular Weight343.50 g/mol
Exact Mass343.18
IUPAC NameN-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC(C)c3cn(C(C)(C)C)nc3C)ncnc2s1
InChIInChI=1S/C18H25N5S/c1-7-13-8-14-16(19-10-20-17(14)24-13)21-11(2)15-9-23(18(4,5)6)22-12(15)3/h8-11H,7H2,1-6H3,(H,19,20,21)
InChIKeyQOIFLSFJIRBAOS-UHFFFAOYSA-N
XLogP4.69
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 154736177
2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylbutane-1,2-diamine
CID 65192081
N-(1-chlorobutan-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 65027345
N-ethyl-N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 54906628
methyl 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 62005776
ethyl 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
CID 133363399
N-(3-chlorobutyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 65028734
(2R,3R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanamide
CID 96996419
1-cyclopropyl-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 65189090
6-ethyl-N-[1-(4-methylmorpholin-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 133386426
6-ethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 133355761
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
CID 650309

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine (CID 133477608) is N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NC(C)c3cn(C(C)(C)C)nc3C)ncnc2s1.
What is the InChIKey of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QOIFLSFJIRBAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5S/c1-7-13-8-14-16(19-10-20-17(14)24-13)21-11(2)15-9-23(18(4,5)6)22-12(15)3/h8-11H,7H2,1-6H3,(H,19,20,21).
What are the key properties of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine?
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 343.50 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133477608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).