5-(2,4-difluorophenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine

C18H22F2N4 — CID 170925600

IUPAC5-(2,4-difluorophenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine
SMILESCc1nc(NCCC2CCCN2C)ncc1-c1ccc(F)cc1F
InChIInChI=1S/C18H22F2N4/c1-12-16(15-6-5-13(19)10-17(15)20)11-22-18(23-12)21-8-7-14-4-3-9-24(14)2/h5-6,10-11,14H,3-4,7-9H2,1-2H3,(H,21,22,23)
InChIKeyCQYJWMVZAWLATA-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.63
Rot. Bonds5

About 5-(2,4-difluorophenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine

5-(2,4-difluorophenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine (PubChem CID 170925600) has the molecular formula C18H22F2N4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine
PubChem CID170925600
Molecular FormulaC18H22F2N4
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name5-(2,4-difluorophenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine
SMILESCc1nc(NCCC2CCCN2C)ncc1-c1ccc(F)cc1F
InChIInChI=1S/C18H22F2N4/c1-12-16(15-6-5-13(19)10-17(15)20)11-22-18(23-12)21-8-7-14-4-3-9-24(14)2/h5-6,10-11,14H,3-4,7-9H2,1-2H3,(H,21,22,23)
InChIKeyCQYJWMVZAWLATA-UHFFFAOYSA-N
XLogP3.63
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 5-(2,4-difluorophenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine (CID 170925600) is 5-(2,4-difluorophenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-(2,4-difluorophenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-(2,4-difluorophenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine is Cc1nc(NCCC2CCCN2C)ncc1-c1ccc(F)cc1F.
What is the InChIKey of 5-(2,4-difluorophenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine?
The InChIKey is CQYJWMVZAWLATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4/c1-12-16(15-6-5-13(19)10-17(15)20)11-22-18(23-12)21-8-7-14-4-3-9-24(14)2/h5-6,10-11,14H,3-4,7-9H2,1-2H3,(H,21,22,23).
What are the key properties of 5-(2,4-difluorophenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine?
5-(2,4-difluorophenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine has a molecular weight of 332.40 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 170925600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).