2-chloro-6-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

C13H14ClN5S — CID 106214406

IUPAC2-chloro-6-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC(C)c3cn[nH]c3)nc(Cl)nc2s1
InChIInChI=1S/C13H14ClN5S/c1-3-9-4-10-11(18-13(14)19-12(10)20-9)17-7(2)8-5-15-16-6-8/h4-7H,3H2,1-2H3,(H,15,16)(H,17,18,19)
InChIKeyVAMKDGMVKOANEX-UHFFFAOYSA-N
MW307.81 g/mol
LogP3.80
Rot. Bonds4

About 2-chloro-6-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

2-chloro-6-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 106214406) has the molecular formula C13H14ClN5S and a molecular weight of 307.81 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID106214406
Molecular FormulaC13H14ClN5S
Molecular Weight307.81 g/mol
Exact Mass307.07
IUPAC Name2-chloro-6-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC(C)c3cn[nH]c3)nc(Cl)nc2s1
InChIInChI=1S/C13H14ClN5S/c1-3-9-4-10-11(18-13(14)19-12(10)20-9)17-7(2)8-5-15-16-6-8/h4-7H,3H2,1-2H3,(H,15,16)(H,17,18,19)
InChIKeyVAMKDGMVKOANEX-UHFFFAOYSA-N
XLogP3.80
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-ethyl-N-(3-methylpentan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103320947
2-chloro-6-ethyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066432
2-chloro-6-ethyl-N-pent-4-yn-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 114156800
2-chloro-6-ethyl-N-(2-methoxypropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322700
2-chloro-6-ethyl-N-(3-methyl-2-propan-2-ylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322726
2-chloro-6-ethyl-N-[1-(furan-2-yl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 103320972
2-chloro-6-ethyl-N-[2-(3-methylbutoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321341
2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320629
4-amino-2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-oxobutanoic acid
CID 82066413
2-chloro-6-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321841
2-chloro-6-ethyl-N-(2,2,3,3-tetrafluoropropyl)thieno[2,3-d]pyrimidin-4-amine
CID 106293411
2-chloro-6-ethyl-N-[2-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 82066429

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 106214406) is 2-chloro-6-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NC(C)c3cn[nH]c3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-6-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VAMKDGMVKOANEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5S/c1-3-9-4-10-11(18-13(14)19-12(10)20-9)17-7(2)8-5-15-16-6-8/h4-7H,3H2,1-2H3,(H,15,16)(H,17,18,19).
What are the key properties of 2-chloro-6-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
2-chloro-6-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 307.81 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106214406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).