N-[[2-[(3-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine

C17H22ClN3 — CID 62745702

IUPACN-[[2-[(3-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(CNC(C)(C)C)nc(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C17H22ClN3/c1-12-8-15(11-19-17(2,3)4)21-16(20-12)10-13-6-5-7-14(18)9-13/h5-9,19H,10-11H2,1-4H3
InChIKeyHAZOGMIFPNXQJV-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.92
Rot. Bonds4

About N-[[2-[(3-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine

N-[[2-[(3-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62745702) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is N-[[2-[(3-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[(3-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID62745702
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC NameN-[[2-[(3-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(CNC(C)(C)C)nc(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C17H22ClN3/c1-12-8-15(11-19-17(2,3)4)21-16(20-12)10-13-6-5-7-14(18)9-13/h5-9,19H,10-11H2,1-4H3
InChIKeyHAZOGMIFPNXQJV-UHFFFAOYSA-N
XLogP3.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-[(3-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(3-bromophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine
CID 62741909
2-[(3-chlorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine
CID 63486808
N-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62745885
4-[(3-chlorophenyl)methyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methylpyrimidine
CID 146993141
2-[(3-chlorophenyl)methyl]-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62320406
2-[(3-chlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 62192554
N-[[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]methyl]propan-1-amine
CID 62747011
2-[(3-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66305909
N-[[2-[(4-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62746762
N-[(2-tert-butyl-6-methylpyrimidin-4-yl)methyl]-2-methylpropan-2-amine
CID 62746756
4,6-dichloro-2-[(3-chlorophenyl)methyl]-5-ethylpyrimidine
CID 63611300
N-[[6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62322346

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[(3-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine (CID 62745702) is N-[[2-[(3-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[(3-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[(3-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine is Cc1cc(CNC(C)(C)C)nc(Cc2cccc(Cl)c2)n1.
What is the InChIKey of N-[[2-[(3-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is HAZOGMIFPNXQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-12-8-15(11-19-17(2,3)4)21-16(20-12)10-13-6-5-7-14(18)9-13/h5-9,19H,10-11H2,1-4H3.
What are the key properties of N-[[2-[(3-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine?
N-[[2-[(3-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 303.84 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62745702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).