N-methyl-1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]methanamine

C16H21N3 — CID 116897459

IUPACN-methyl-1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]methanamine
SMILESCNCc1nccc(-c2ccc(CC(C)C)cc2)n1
InChIInChI=1S/C16H21N3/c1-12(2)10-13-4-6-14(7-5-13)15-8-9-18-16(19-15)11-17-3/h4-9,12,17H,10-11H2,1-3H3
InChIKeyQOSBUQXXIWONLS-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.06
Rot. Bonds5

About N-methyl-1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]methanamine

N-methyl-1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]methanamine (PubChem CID 116897459) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-methyl-1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]methanamine
PubChem CID116897459
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-methyl-1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]methanamine
SMILESCNCc1nccc(-c2ccc(CC(C)C)cc2)n1
InChIInChI=1S/C16H21N3/c1-12(2)10-13-4-6-14(7-5-13)15-8-9-18-16(19-15)11-17-3/h4-9,12,17H,10-11H2,1-3H3
InChIKeyQOSBUQXXIWONLS-UHFFFAOYSA-N
XLogP3.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]-N-methylmethanamine
CID 116897472
N-methyl-1-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine
CID 3528202
1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]cyclopropan-1-amine
CID 116903535
N-methyl-1-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]methanamine
CID 116897504
4-(3,4-dichlorophenyl)-2-(2-methylpropyl)pyrimidine
CID 71282614
N-methyl-1-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]methanamine
CID 116897507
1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-methylmethanamine
CID 84682667
2-[4-(4-ethylphenyl)pyrimidin-2-yl]acetonitrile
CID 116900943
1-(4-chloropyrimidin-2-yl)-N-methylmethanamine
CID 125130391
3-[4-(2-methylpropyl)phenyl]-1,2-oxazole
CID 26597218
[4-(4-propan-2-ylphenyl)pyrimidin-2-yl]methanamine
CID 82473712
3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine
CID 140943602

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]methanamine (CID 116897459) is N-methyl-1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]methanamine is CNCc1nccc(-c2ccc(CC(C)C)cc2)n1.
What is the InChIKey of N-methyl-1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]methanamine?
The InChIKey is QOSBUQXXIWONLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12(2)10-13-4-6-14(7-5-13)15-8-9-18-16(19-15)11-17-3/h4-9,12,17H,10-11H2,1-3H3.
What are the key properties of N-methyl-1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]methanamine?
N-methyl-1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]methanamine has a molecular weight of 255.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]methanamine is sourced from PubChem (CID 116897459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).