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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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).