5-chloro-2-N-(2-methoxy-4-piperidin-2-ylphenyl)-4-N-methylpyrimidine-2,4-diamine

C17H22ClN5O — CID 173349465

IUPAC5-chloro-2-N-(2-methoxy-4-piperidin-2-ylphenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccc(C3CCCCN3)cc2OC)ncc1Cl
InChIInChI=1S/C17H22ClN5O/c1-19-16-12(18)10-21-17(23-16)22-14-7-6-11(9-15(14)24-2)13-5-3-4-8-20-13/h6-7,9-10,13,20H,3-5,8H2,1-2H3,(H2,19,21,22,23)
InChIKeyQADDTBXRINKOMP-UHFFFAOYSA-N
MW347.85 g/mol
LogP3.74
Rot. Bonds5

About 5-chloro-2-N-(2-methoxy-4-piperidin-2-ylphenyl)-4-N-methylpyrimidine-2,4-diamine

5-chloro-2-N-(2-methoxy-4-piperidin-2-ylphenyl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 173349465) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is 5-chloro-2-N-(2-methoxy-4-piperidin-2-ylphenyl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-(2-methoxy-4-piperidin-2-ylphenyl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID173349465
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC Name5-chloro-2-N-(2-methoxy-4-piperidin-2-ylphenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccc(C3CCCCN3)cc2OC)ncc1Cl
InChIInChI=1S/C17H22ClN5O/c1-19-16-12(18)10-21-17(23-16)22-14-7-6-11(9-15(14)24-2)13-5-3-4-8-20-13/h6-7,9-10,13,20H,3-5,8H2,1-2H3,(H2,19,21,22,23)
InChIKeyQADDTBXRINKOMP-UHFFFAOYSA-N
XLogP3.74
TPSA71.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-methylpyrimidine-2,4-diamine
CID 170156097
(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171194815
[4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 54596181
2-N-[4-(3-azaspiro[5.5]undecan-9-yl)-2-methoxyphenyl]-5-chloro-4-N-(2-methylphosphanylphenyl)pyrimidine-2,4-diamine
CID 129110466
[4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]methanone
CID 89499622
5-chloro-4-N-[4-methoxy-2-(methylamino)phenyl]-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 67962528
[4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 58539139
5-chloro-4-N-(2-dimethylphosphanyloxyphenyl)-2-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidine-2,4-diamine
CID 175543402
[5-chloro-4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-2-methoxyphenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 58539110
2-(4-cyclopentyloxy-3-methoxyphenyl)piperidine
CID 117440861
5-chloro-2-N-(2-methoxy-4-piperidin-4-ylphenyl)-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 130374880
methyl N-[6-[[5-chloro-2-(2-methoxy-4-piperidin-4-ylanilino)pyrimidin-4-yl]amino]quinoxalin-5-yl]carbamate
CID 165394543

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-(2-methoxy-4-piperidin-2-ylphenyl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-(2-methoxy-4-piperidin-2-ylphenyl)-4-N-methylpyrimidine-2,4-diamine (CID 173349465) is 5-chloro-2-N-(2-methoxy-4-piperidin-2-ylphenyl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-(2-methoxy-4-piperidin-2-ylphenyl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-(2-methoxy-4-piperidin-2-ylphenyl)-4-N-methylpyrimidine-2,4-diamine is CNc1nc(Nc2ccc(C3CCCCN3)cc2OC)ncc1Cl.
What is the InChIKey of 5-chloro-2-N-(2-methoxy-4-piperidin-2-ylphenyl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is QADDTBXRINKOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O/c1-19-16-12(18)10-21-17(23-16)22-14-7-6-11(9-15(14)24-2)13-5-3-4-8-20-13/h6-7,9-10,13,20H,3-5,8H2,1-2H3,(H2,19,21,22,23).
What are the key properties of 5-chloro-2-N-(2-methoxy-4-piperidin-2-ylphenyl)-4-N-methylpyrimidine-2,4-diamine?
5-chloro-2-N-(2-methoxy-4-piperidin-2-ylphenyl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 347.85 g/mol, XLogP of 3.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-(2-methoxy-4-piperidin-2-ylphenyl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 173349465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).