5-chloro-8-(2-methylcyclopentyl)-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine

C19H26ClN5O2S — CID 170234389

IUPAC5-chloro-8-(2-methylcyclopentyl)-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine
SMILESCC1CCCC1c1ncc(Cl)c2cnc(NC3CCN(S(C)(=O)=O)CC3)nc12
InChIInChI=1S/C19H26ClN5O2S/c1-12-4-3-5-14(12)17-18-15(16(20)11-21-17)10-22-19(24-18)23-13-6-8-25(9-7-13)28(2,26)27/h10-14H,3-9H2,1-2H3,(H,22,23,24)
InChIKeyQPXATVWZWPCAOZ-UHFFFAOYSA-N
MW423.97 g/mol
LogP3.42
Rot. Bonds4

About 5-chloro-8-(2-methylcyclopentyl)-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine

5-chloro-8-(2-methylcyclopentyl)-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine (PubChem CID 170234389) has the molecular formula C19H26ClN5O2S and a molecular weight of 423.97 g/mol. Its IUPAC name is 5-chloro-8-(2-methylcyclopentyl)-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-8-(2-methylcyclopentyl)-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine
PubChem CID170234389
Molecular FormulaC19H26ClN5O2S
Molecular Weight423.97 g/mol
Exact Mass423.15
IUPAC Name5-chloro-8-(2-methylcyclopentyl)-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine
SMILESCC1CCCC1c1ncc(Cl)c2cnc(NC3CCN(S(C)(=O)=O)CC3)nc12
InChIInChI=1S/C19H26ClN5O2S/c1-12-4-3-5-14(12)17-18-15(16(20)11-21-17)10-22-19(24-18)23-13-6-8-25(9-7-13)28(2,26)27/h10-14H,3-9H2,1-2H3,(H,22,23,24)
InChIKeyQPXATVWZWPCAOZ-UHFFFAOYSA-N
XLogP3.42
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-8-(2-methylcyclopentyl)-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine with MolForge

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Related Compounds

(E)-3-[4-[(2-methylcyclopentyl)amino]-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]prop-2-enoic acid
CID 146509479
[5-[5-chloro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]methanol
CID 167193691
N-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-2-amine
CID 175728686
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
N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 176901310
5-chloro-4-N-(3-methoxyphenyl)-2-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 118709980
6-(methoxymethyl)-8-[(1S,2R)-2-methylcyclopentyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 134253069
2-[8-[(1R,2S)-2-methylcyclopentyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]acetonitrile
CID 134257184
1-[6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]piperidin-4-ol
CID 170740332
N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-4-trimethylstannylpyrimidin-2-amine
CID 171468969
5-chloro-4-ethoxy-N-(1-methylsulfonylpiperidin-3-yl)pyrimidin-2-amine
CID 166240638
(E)-4-[4-[[(1R,2R)-2-hydroxy-2-methylcyclopentyl]amino]-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]but-3-en-2-one
CID 163795284

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-(2-methylcyclopentyl)-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of 5-chloro-8-(2-methylcyclopentyl)-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine (CID 170234389) is 5-chloro-8-(2-methylcyclopentyl)-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-8-(2-methylcyclopentyl)-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-8-(2-methylcyclopentyl)-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine is CC1CCCC1c1ncc(Cl)c2cnc(NC3CCN(S(C)(=O)=O)CC3)nc12.
What is the InChIKey of 5-chloro-8-(2-methylcyclopentyl)-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is QPXATVWZWPCAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5O2S/c1-12-4-3-5-14(12)17-18-15(16(20)11-21-17)10-22-19(24-18)23-13-6-8-25(9-7-13)28(2,26)27/h10-14H,3-9H2,1-2H3,(H,22,23,24).
What are the key properties of 5-chloro-8-(2-methylcyclopentyl)-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine?
5-chloro-8-(2-methylcyclopentyl)-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 423.97 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-(2-methylcyclopentyl)-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 170234389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).