6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine

C14H17ClN6S — CID 166063842

IUPAC6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCc1c(C[C@H](C)N)sc2c(NCc3cn[nH]c3)nc(Cl)nc12
InChIInChI=1S/C14H17ClN6S/c1-7(16)3-10-8(2)11-12(22-10)13(21-14(15)20-11)17-4-9-5-18-19-6-9/h5-7H,3-4,16H2,1-2H3,(H,18,19)(H,17,20,21)/t7-/m0/s1
InChIKeyZDTOLWJGSKWAQU-ZETCQYMHSA-N
MW336.85 g/mol
LogP2.88
Rot. Bonds5

About 6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine

6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 166063842) has the molecular formula C14H17ClN6S and a molecular weight of 336.85 g/mol. Its IUPAC name is 6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID166063842
Molecular FormulaC14H17ClN6S
Molecular Weight336.85 g/mol
Exact Mass336.09
IUPAC Name6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCc1c(C[C@H](C)N)sc2c(NCc3cn[nH]c3)nc(Cl)nc12
InChIInChI=1S/C14H17ClN6S/c1-7(16)3-10-8(2)11-12(22-10)13(21-14(15)20-11)17-4-9-5-18-19-6-9/h5-7H,3-4,16H2,1-2H3,(H,18,19)(H,17,20,21)/t7-/m0/s1
InChIKeyZDTOLWJGSKWAQU-ZETCQYMHSA-N
XLogP2.88
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.85
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 164865954
6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1,2-oxazol-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 165146520
6-chloro-5-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
CID 106193436
5,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 54897353
2-tert-butyl-6-chloro-5-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
CID 114156509
6-(2-aminoethyl)-2-chloro-N-[(3-fluorothiophen-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 167198237
6-[(2S)-2-aminopropyl]-2-chloro-N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride
CID 164865973
2,6-dimethyl-4-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4,5-diamine
CID 146843134
2-(2-aminopropyl)-5-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine
CID 175365847
3-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine
CID 106193468
4-chloro-2-methyl-6-(1H-pyrazol-4-ylmethylamino)pyrimidine-5-carbaldehyde
CID 106193412
6-ethoxy-5-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
CID 66327056

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine (CID 166063842) is 6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine is Cc1c(C[C@H](C)N)sc2c(NCc3cn[nH]c3)nc(Cl)nc12.
What is the InChIKey of 6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is ZDTOLWJGSKWAQU-ZETCQYMHSA-N. The full InChI is InChI=1S/C14H17ClN6S/c1-7(16)3-10-8(2)11-12(22-10)13(21-14(15)20-11)17-4-9-5-18-19-6-9/h5-7H,3-4,16H2,1-2H3,(H,18,19)(H,17,20,21)/t7-/m0/s1.
What are the key properties of 6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine?
6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 336.85 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 166063842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).