N-[[2-[(4-chlorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine

C16H20ClN3 — CID 62757153

IUPACN-[[2-[(4-chlorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(Cc2ccc(Cl)cc2)nc1
InChIInChI=1S/C16H20ClN3/c1-12(2)8-18-9-14-10-19-16(20-11-14)7-13-3-5-15(17)6-4-13/h3-6,10-12,18H,7-9H2,1-2H3
InChIKeyCZVCVDHDRYZHRY-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.47
Rot. Bonds6

About N-[[2-[(4-chlorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine

N-[[2-[(4-chlorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62757153) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[[2-[(4-chlorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[(4-chlorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID62757153
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC NameN-[[2-[(4-chlorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(Cc2ccc(Cl)cc2)nc1
InChIInChI=1S/C16H20ClN3/c1-12(2)8-18-9-14-10-19-16(20-11-14)7-13-3-5-15(17)6-4-13/h3-6,10-12,18H,7-9H2,1-2H3
InChIKeyCZVCVDHDRYZHRY-UHFFFAOYSA-N
XLogP3.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(3,5-dimethylphenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62758071
2-methyl-N-[[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine
CID 62756426
N-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296432
N-[[2-[(4-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62746762
N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63553296
N-[[6-(4-chlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 80628289
2-methyl-N-[[2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65137560
N-[[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62323244
N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66147520
N-[[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62323080
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253
1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17290383

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-chlorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[(4-chlorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine (CID 62757153) is N-[[2-[(4-chlorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[(4-chlorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[(4-chlorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cnc(Cc2ccc(Cl)cc2)nc1.
What is the InChIKey of N-[[2-[(4-chlorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is CZVCVDHDRYZHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-12(2)8-18-9-14-10-19-16(20-11-14)7-13-3-5-15(17)6-4-13/h3-6,10-12,18H,7-9H2,1-2H3.
What are the key properties of N-[[2-[(4-chlorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-[(4-chlorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 289.81 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-chlorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62757153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).