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

C13H14ClN5S — CID 103331015

IUPAC4-(4-chloropyrazol-1-yl)-N,6-diethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(-n2cc(Cl)cn2)c2cc(CC)sc2n1
InChIInChI=1S/C13H14ClN5S/c1-3-9-5-10-11(19-7-8(14)6-16-19)17-13(15-4-2)18-12(10)20-9/h5-7H,3-4H2,1-2H3,(H,15,17,18)
InChIKeySDKDOEBRIBYJIT-UHFFFAOYSA-N
MW307.81 g/mol
LogP3.52
Rot. Bonds4

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

4-(4-chloropyrazol-1-yl)-N,6-diethylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103331015) has the molecular formula C13H14ClN5S and a molecular weight of 307.81 g/mol. Its IUPAC name is 4-(4-chloropyrazol-1-yl)-N,6-diethylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chloropyrazol-1-yl)-N,6-diethylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103331015
Molecular FormulaC13H14ClN5S
Molecular Weight307.81 g/mol
Exact Mass307.07
IUPAC Name4-(4-chloropyrazol-1-yl)-N,6-diethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(-n2cc(Cl)cn2)c2cc(CC)sc2n1
InChIInChI=1S/C13H14ClN5S/c1-3-9-5-10-11(19-7-8(14)6-16-19)17-13(15-4-2)18-12(10)20-9/h5-7H,3-4H2,1-2H3,(H,15,17,18)
InChIKeySDKDOEBRIBYJIT-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-chloropyrazol-1-yl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331008
N-ethyl-6-methyl-4-(4-methylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103330991
N,6-diethyl-4-(2-ethylimidazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103331057
N,6-diethyl-4-(3-methylthiomorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103328077
4-(2,2-dimethylpyrrolidin-1-yl)-N,6-diethylthieno[2,3-d]pyrimidin-2-amine
CID 103327611
1-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxamide
CID 103335986
1-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxamide
CID 103331164
4-N-[2-(dimethylamino)ethyl]-2-N,6-diethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327863
4-N-(2,2-dimethylbutyl)-2-N,6-diethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103466672
4-N,6-diethyl-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324155
4-N-cyclopropyl-2-N,6-diethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324607
N,6-diethyl-4-(3-methylbutan-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
CID 107765560

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloropyrazol-1-yl)-N,6-diethylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(4-chloropyrazol-1-yl)-N,6-diethylthieno[2,3-d]pyrimidin-2-amine (CID 103331015) is 4-(4-chloropyrazol-1-yl)-N,6-diethylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-chloropyrazol-1-yl)-N,6-diethylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(4-chloropyrazol-1-yl)-N,6-diethylthieno[2,3-d]pyrimidin-2-amine is CCNc1nc(-n2cc(Cl)cn2)c2cc(CC)sc2n1.
What is the InChIKey of 4-(4-chloropyrazol-1-yl)-N,6-diethylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is SDKDOEBRIBYJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5S/c1-3-9-5-10-11(19-7-8(14)6-16-19)17-13(15-4-2)18-12(10)20-9/h5-7H,3-4H2,1-2H3,(H,15,17,18).
What are the key properties of 4-(4-chloropyrazol-1-yl)-N,6-diethylthieno[2,3-d]pyrimidin-2-amine?
4-(4-chloropyrazol-1-yl)-N,6-diethylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 307.81 g/mol, XLogP of 3.52, 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)-N,6-diethylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103331015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).