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

C17H21ClFN5 — CID 143921492

IUPAC5-chloro-2-N-(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cc(C)c(C3CCNCC3)cc2F)ncc1Cl
InChIInChI=1S/C17H21ClFN5/c1-10-7-15(23-17-22-9-13(18)16(20-2)24-17)14(19)8-12(10)11-3-5-21-6-4-11/h7-9,11,21H,3-6H2,1-2H3,(H2,20,22,23,24)
InChIKeyQJUXOBJBEFKHQS-UHFFFAOYSA-N
MW349.84 g/mol
LogP3.83
Rot. Bonds4

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

5-chloro-2-N-(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 143921492) has the molecular formula C17H21ClFN5 and a molecular weight of 349.84 g/mol. Its IUPAC name is 5-chloro-2-N-(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID143921492
Molecular FormulaC17H21ClFN5
Molecular Weight349.84 g/mol
Exact Mass349.15
IUPAC Name5-chloro-2-N-(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cc(C)c(C3CCNCC3)cc2F)ncc1Cl
InChIInChI=1S/C17H21ClFN5/c1-10-7-15(23-17-22-9-13(18)16(20-2)24-17)14(19)8-12(10)11-3-5-21-6-4-11/h7-9,11,21H,3-6H2,1-2H3,(H2,20,22,23,24)
InChIKeyQJUXOBJBEFKHQS-UHFFFAOYSA-N
XLogP3.83
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]cyclohexan-1-ol
CID 44621649
5-chloro-2-N-[2-fluoro-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
CID 162732569
5-chloro-2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 176671649
5-chloro-2-N-[2-fluoro-4-[1-hydroxy-1-(oxan-4-yl)piperidin-1-ium-4-yl]-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 153148509
5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 58254950
2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-4-N,5-dimethylpyrimidine-2,4-diamine
CID 91492484
[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(2-methylpyrrolidin-2-yl)methanone
CID 77483996
2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]propane-1-sulfinic acid
CID 155671589
5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(4-piperidin-4-ylnaphthalen-1-yl)pyrimidine-2,4-diamine
CID 58257121
5-chloro-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(6-propan-2-ylsulfonylcyclohexa-1,5-dien-1-yl)pyrimidine-2,4-diamine
CID 146656866
2-(aminomethyl)-3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-3-oxopropanal
CID 89112726
5-chloro-2-N-(2-methoxy-5-methyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonyl-3-pyridinyl)pyrimidine-2,4-diamine
CID 135320645

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine (CID 143921492) is 5-chloro-2-N-(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine is CNc1nc(Nc2cc(C)c(C3CCNCC3)cc2F)ncc1Cl.
What is the InChIKey of 5-chloro-2-N-(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is QJUXOBJBEFKHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClFN5/c1-10-7-15(23-17-22-9-13(18)16(20-2)24-17)14(19)8-12(10)11-3-5-21-6-4-11/h7-9,11,21H,3-6H2,1-2H3,(H2,20,22,23,24).
What are the key properties of 5-chloro-2-N-(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine?
5-chloro-2-N-(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 349.84 g/mol, XLogP of 3.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 143921492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).