N-methyl-1-[4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine

C17H22N4 — CID 83178916

IUPACN-methyl-1-[4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(N2CCC(c3ccccc3)C2)nc1C
InChIInChI=1S/C17H22N4/c1-13-16(10-18-2)11-19-17(20-13)21-9-8-15(12-21)14-6-4-3-5-7-14/h3-7,11,15,18H,8-10,12H2,1-2H3
InChIKeyVNGHCFOLXFZLDY-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.50
Rot. Bonds4

About N-methyl-1-[4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine

N-methyl-1-[4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine (PubChem CID 83178916) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine
PubChem CID83178916
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-methyl-1-[4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(N2CCC(c3ccccc3)C2)nc1C
InChIInChI=1S/C17H22N4/c1-13-16(10-18-2)11-19-17(20-13)21-9-8-15(12-21)14-6-4-3-5-7-14/h3-7,11,15,18H,8-10,12H2,1-2H3
InChIKeyVNGHCFOLXFZLDY-UHFFFAOYSA-N
XLogP2.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine (CID 83178916) is N-methyl-1-[4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine is CNCc1cnc(N2CCC(c3ccccc3)C2)nc1C.
What is the InChIKey of N-methyl-1-[4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine?
The InChIKey is VNGHCFOLXFZLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-13-16(10-18-2)11-19-17(20-13)21-9-8-15(12-21)14-6-4-3-5-7-14/h3-7,11,15,18H,8-10,12H2,1-2H3.
What are the key properties of N-methyl-1-[4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine?
N-methyl-1-[4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine has a molecular weight of 282.39 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 83178916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).