4-(4-chloropyrazol-1-yl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine

C13H14ClN5S — CID 103331008

IUPAC4-(4-chloropyrazol-1-yl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
SMILESCCCNc1nc(-n2cc(Cl)cn2)c2cc(C)sc2n1
InChIInChI=1S/C13H14ClN5S/c1-3-4-15-13-17-11(19-7-9(14)6-16-19)10-5-8(2)20-12(10)18-13/h5-7H,3-4H2,1-2H3,(H,15,17,18)
InChIKeyCTBZAHFZKYCNPM-UHFFFAOYSA-N
MW307.81 g/mol
LogP3.66
Rot. Bonds4

About 4-(4-chloropyrazol-1-yl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine

4-(4-chloropyrazol-1-yl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103331008) has the molecular formula C13H14ClN5S and a molecular weight of 307.81 g/mol. Its IUPAC name is 4-(4-chloropyrazol-1-yl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chloropyrazol-1-yl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103331008
Molecular FormulaC13H14ClN5S
Molecular Weight307.81 g/mol
Exact Mass307.07
IUPAC Name4-(4-chloropyrazol-1-yl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
SMILESCCCNc1nc(-n2cc(Cl)cn2)c2cc(C)sc2n1
InChIInChI=1S/C13H14ClN5S/c1-3-4-15-13-17-11(19-7-9(14)6-16-19)10-5-8(2)20-12(10)18-13/h5-7H,3-4H2,1-2H3,(H,15,17,18)
InChIKeyCTBZAHFZKYCNPM-UHFFFAOYSA-N
XLogP3.66
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-6-methyl-4-(4-methylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103330991
4-(4-chloropyrazol-1-yl)-N,6-diethylthieno[2,3-d]pyrimidin-2-amine
CID 103331015
4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 82309354
4-(2-ethylpyrrolidin-1-yl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103325400
1-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxamide
CID 103331164
6-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103326239
4-(4-iodopyrazol-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103331139
6-(4-chloropyrazol-1-yl)-N-propyl-7H-purin-2-amine
CID 114786663
[1-[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 103329632
4-(4-chloropyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566071
2-methyl-1-[methyl-[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol
CID 103328875
4-N-cyclopropyl-4-N-ethyl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324544

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloropyrazol-1-yl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(4-chloropyrazol-1-yl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine (CID 103331008) is 4-(4-chloropyrazol-1-yl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-chloropyrazol-1-yl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(4-chloropyrazol-1-yl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine is CCCNc1nc(-n2cc(Cl)cn2)c2cc(C)sc2n1.
What is the InChIKey of 4-(4-chloropyrazol-1-yl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is CTBZAHFZKYCNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5S/c1-3-4-15-13-17-11(19-7-9(14)6-16-19)10-5-8(2)20-12(10)18-13/h5-7H,3-4H2,1-2H3,(H,15,17,18).
What are the key properties of 4-(4-chloropyrazol-1-yl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine?
4-(4-chloropyrazol-1-yl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 307.81 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloropyrazol-1-yl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103331008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).