(1R)-2-[(5-chloro-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-yl)amino]-1-methylcyclopentan-1-ol

C14H17ClN4OS — CID 170234997

IUPAC(1R)-2-[(5-chloro-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-yl)amino]-1-methylcyclopentan-1-ol
SMILESCSc1ncc2c(Cl)cnc(NC3CCC[C@@]3(C)O)c2n1
InChIInChI=1S/C14H17ClN4OS/c1-14(20)5-3-4-10(14)18-12-11-8(9(15)7-16-12)6-17-13(19-11)21-2/h6-7,10,20H,3-5H2,1-2H3,(H,16,18)/t10?,14-/m1/s1
InChIKeyOPHRJFZDACJCMA-LNUXAPHWSA-N
MW324.84 g/mol
LogP3.12
Rot. Bonds3

About (1R)-2-[(5-chloro-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-yl)amino]-1-methylcyclopentan-1-ol

(1R)-2-[(5-chloro-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-yl)amino]-1-methylcyclopentan-1-ol (PubChem CID 170234997) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is (1R)-2-[(5-chloro-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-yl)amino]-1-methylcyclopentan-1-ol.

Molecular Properties

Compound Name(1R)-2-[(5-chloro-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-yl)amino]-1-methylcyclopentan-1-ol
PubChem CID170234997
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name(1R)-2-[(5-chloro-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-yl)amino]-1-methylcyclopentan-1-ol
SMILESCSc1ncc2c(Cl)cnc(NC3CCC[C@@]3(C)O)c2n1
InChIInChI=1S/C14H17ClN4OS/c1-14(20)5-3-4-10(14)18-12-11-8(9(15)7-16-12)6-17-13(19-11)21-2/h6-7,10,20H,3-5H2,1-2H3,(H,16,18)/t10?,14-/m1/s1
InChIKeyOPHRJFZDACJCMA-LNUXAPHWSA-N
XLogP3.12
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1R)-2-[(5-chloro-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-yl)amino]-1-methylcyclopentan-1-ol with MolForge

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Related Compounds

4-[[(1R,3R)-3-hydroxy-2,2-dimethylcyclohexyl]amino]-2-methylsulfanylpyrimidine-5-carbonitrile
CID 118162163
4-[(4-hydroxy-4-methyloxolan-3-yl)amino]-2-methylsulfanylpyrimidine-5-carboxylic acid
CID 138595290
cis-(1R,2R)-2-[[6-chloro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]-1-methylcyclopentan-1-ol
CID 169076020
trans-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]-1-methylcyclohexan-1-ol
CID 171545291
8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 166640289
5-chloro-N-[(1R,2S)-2-methylcyclohexyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 51928172
4-(cyclohexylamino)-2-methylsulfanylpyrimidine-5-carboxamide
CID 86065477
cis-(1R,2R)-2-[[5-bromo-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]-1-methylcyclopentan-1-ol
CID 134253044
1-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81158519
cis-(1S,2S)-2-[[2-(1-amino-5-chloro-7,7a-dihydropyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol
CID 126687224
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83214598
2-chloro-N-(2,2-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103322101

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(5-chloro-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-yl)amino]-1-methylcyclopentan-1-ol?
The IUPAC name of (1R)-2-[(5-chloro-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-yl)amino]-1-methylcyclopentan-1-ol (CID 170234997) is (1R)-2-[(5-chloro-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-yl)amino]-1-methylcyclopentan-1-ol.
What is the SMILES notation for (1R)-2-[(5-chloro-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-yl)amino]-1-methylcyclopentan-1-ol?
The canonical SMILES for (1R)-2-[(5-chloro-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-yl)amino]-1-methylcyclopentan-1-ol is CSc1ncc2c(Cl)cnc(NC3CCC[C@@]3(C)O)c2n1.
What is the InChIKey of (1R)-2-[(5-chloro-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-yl)amino]-1-methylcyclopentan-1-ol?
The InChIKey is OPHRJFZDACJCMA-LNUXAPHWSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-14(20)5-3-4-10(14)18-12-11-8(9(15)7-16-12)6-17-13(19-11)21-2/h6-7,10,20H,3-5H2,1-2H3,(H,16,18)/t10?,14-/m1/s1.
What are the key properties of (1R)-2-[(5-chloro-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-yl)amino]-1-methylcyclopentan-1-ol?
(1R)-2-[(5-chloro-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-yl)amino]-1-methylcyclopentan-1-ol has a molecular weight of 324.84 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(5-chloro-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-yl)amino]-1-methylcyclopentan-1-ol is sourced from PubChem (CID 170234997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).