N-[[2-[(4-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine

C17H22ClN3 — CID 62746762

IUPACN-[[2-[(4-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(CNCC(C)C)nc(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H22ClN3/c1-12(2)10-19-11-16-8-13(3)20-17(21-16)9-14-4-6-15(18)7-5-14/h4-8,12,19H,9-11H2,1-3H3
InChIKeyDAKVISMOQMVHNM-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.77
Rot. Bonds6

About N-[[2-[(4-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine

N-[[2-[(4-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62746762) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is N-[[2-[(4-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[(4-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID62746762
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC NameN-[[2-[(4-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(CNCC(C)C)nc(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H22ClN3/c1-12(2)10-19-11-16-8-13(3)20-17(21-16)9-14-4-6-15(18)7-5-14/h4-8,12,19H,9-11H2,1-3H3
InChIKeyDAKVISMOQMVHNM-UHFFFAOYSA-N
XLogP3.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(4-chlorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62757153
N-[[2-[2-(diethylamino)ethyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62744130
2-methyl-N-[[6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 103476573
N-[[2-(4-fluoro-3-methylphenyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62746412
1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine
CID 82893811
N-[[2-(3-fluoro-4-methylphenyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62746589
N-[[2-[(3-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62745702
N-[[4,6-dimethyl-2-(pyridin-4-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62746547
N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63553296
N-[[2-[(2,6-dichlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 62746219
N-[[2-(4-chlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62747587
4,6-dichloro-2-[(4-chlorophenyl)methyl]-5-methylpyrimidine
CID 63612652

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[(4-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine (CID 62746762) is N-[[2-[(4-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[(4-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[(4-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine is Cc1cc(CNCC(C)C)nc(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[[2-[(4-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is DAKVISMOQMVHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-12(2)10-19-11-16-8-13(3)20-17(21-16)9-14-4-6-15(18)7-5-14/h4-8,12,19H,9-11H2,1-3H3.
What are the key properties of N-[[2-[(4-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine?
N-[[2-[(4-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 303.84 g/mol, XLogP of 3.77, 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]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62746762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).