N-(3,5-difluorophenyl)-4-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine

C17H21F2N5 — CID 70687242

IUPACN-(3,5-difluorophenyl)-4-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine
SMILESCc1cc(N2CCCN(C)CC2)nc(Nc2cc(F)cc(F)c2)n1
InChIInChI=1S/C17H21F2N5/c1-12-8-16(24-5-3-4-23(2)6-7-24)22-17(20-12)21-15-10-13(18)9-14(19)11-15/h8-11H,3-7H2,1-2H3,(H,20,21,22)
InChIKeyWNPBOTNXABYJGD-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.95
Rot. Bonds3

About N-(3,5-difluorophenyl)-4-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine

N-(3,5-difluorophenyl)-4-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine (PubChem CID 70687242) has the molecular formula C17H21F2N5 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-4-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-4-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine
PubChem CID70687242
Molecular FormulaC17H21F2N5
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC NameN-(3,5-difluorophenyl)-4-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine
SMILESCc1cc(N2CCCN(C)CC2)nc(Nc2cc(F)cc(F)c2)n1
InChIInChI=1S/C17H21F2N5/c1-12-8-16(24-5-3-4-23(2)6-7-24)22-17(20-12)21-15-10-13(18)9-14(19)11-15/h8-11H,3-7H2,1-2H3,(H,20,21,22)
InChIKeyWNPBOTNXABYJGD-UHFFFAOYSA-N
XLogP2.95
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-difluorophenyl)-3-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]urea
CID 70702897
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913929
methyl 4-[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]benzoate
CID 112913902
N-(2-chlorophenyl)-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913869
N-[2-(4-fluorophenyl)ethyl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913799
N-(4-tert-butylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910070
4-(azepan-1-yl)-N-(3,4-dichlorophenyl)-6-methylpyrimidin-2-amine
CID 112926654
2,4-difluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 121032487
4-fluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 27478347
N-(3-bromo-4-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909346
N-(2-ethylphenyl)-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913857
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluorophenyl)-6-methylpyrimidin-2-amine
CID 112920388

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-4-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(3,5-difluorophenyl)-4-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine (CID 70687242) is N-(3,5-difluorophenyl)-4-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3,5-difluorophenyl)-4-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3,5-difluorophenyl)-4-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine is Cc1cc(N2CCCN(C)CC2)nc(Nc2cc(F)cc(F)c2)n1.
What is the InChIKey of N-(3,5-difluorophenyl)-4-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine?
The InChIKey is WNPBOTNXABYJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N5/c1-12-8-16(24-5-3-4-23(2)6-7-24)22-17(20-12)21-15-10-13(18)9-14(19)11-15/h8-11H,3-7H2,1-2H3,(H,20,21,22).
What are the key properties of N-(3,5-difluorophenyl)-4-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine?
N-(3,5-difluorophenyl)-4-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine has a molecular weight of 333.39 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-4-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 70687242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).