N-(5-cyclobutyl-2-methanimidoylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine

C20H25N5 — CID 138550142

IUPACN-(5-cyclobutyl-2-methanimidoylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILES[H]/N=C/c1ccc(C2CCC2)cc1Nc1cc(N2CCCC2)nc(C)n1
InChIInChI=1S/C20H25N5/c1-14-22-19(12-20(23-14)25-9-2-3-10-25)24-18-11-16(15-5-4-6-15)7-8-17(18)13-21/h7-8,11-13,15,21H,2-6,9-10H2,1H3,(H,22,23,24)/b21-13+
InChIKeyNXPLSHFBCYRRBF-FYJGNVAPSA-N
MW335.46 g/mol
LogP4.39
Rot. Bonds5

About N-(5-cyclobutyl-2-methanimidoylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine

N-(5-cyclobutyl-2-methanimidoylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 138550142) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is N-(5-cyclobutyl-2-methanimidoylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclobutyl-2-methanimidoylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID138550142
Molecular FormulaC20H25N5
Molecular Weight335.46 g/mol
Exact Mass335.21
IUPAC NameN-(5-cyclobutyl-2-methanimidoylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILES[H]/N=C/c1ccc(C2CCC2)cc1Nc1cc(N2CCCC2)nc(C)n1
InChIInChI=1S/C20H25N5/c1-14-22-19(12-20(23-14)25-9-2-3-10-25)24-18-11-16(15-5-4-6-15)7-8-17(18)13-21/h7-8,11-13,15,21H,2-6,9-10H2,1H3,(H,22,23,24)/b21-13+
InChIKeyNXPLSHFBCYRRBF-FYJGNVAPSA-N
XLogP4.39
TPSA64.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[5-[[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]amino]-4-methanimidoyl-2-methylphenyl]piperidin-4-ol
CID 155469076
N-(4-methoxyphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868530
2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzonitrile
CID 112868587
N-[2-methanimidoyl-4-methyl-5-[2-methyl-1-(oxetan-3-yl)piperidin-4-yl]phenyl]-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 135278572
N-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868891
N-(2-bromophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868937
N-(2,4-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868570
N-cyclopentyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868596
6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)-2-methylpyrimidin-4-amine
CID 112876827
methyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate
CID 112868921
N-(3,5-dichlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868580
N-(2-methanimidoyl-4-methyl-5-piperidin-4-ylphenyl)-2-methoxy-6-morpholin-4-ylpyrimidin-4-amine;methanol
CID 145234182

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclobutyl-2-methanimidoylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(5-cyclobutyl-2-methanimidoylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 138550142) is N-(5-cyclobutyl-2-methanimidoylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclobutyl-2-methanimidoylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(5-cyclobutyl-2-methanimidoylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine is [H]/N=C/c1ccc(C2CCC2)cc1Nc1cc(N2CCCC2)nc(C)n1.
What is the InChIKey of N-(5-cyclobutyl-2-methanimidoylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is NXPLSHFBCYRRBF-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H25N5/c1-14-22-19(12-20(23-14)25-9-2-3-10-25)24-18-11-16(15-5-4-6-15)7-8-17(18)13-21/h7-8,11-13,15,21H,2-6,9-10H2,1H3,(H,22,23,24)/b21-13+.
What are the key properties of N-(5-cyclobutyl-2-methanimidoylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
N-(5-cyclobutyl-2-methanimidoylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 335.46 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclobutyl-2-methanimidoylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 138550142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).