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

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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).