N-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyrimidin-4-amine

C17H22N4 — CID 130857368

IUPACN-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CC(C)N(Cc3ccccc3)C2)ncn1
InChIInChI=1S/C17H22N4/c1-13-8-17(19-12-18-13)20-16-9-14(2)21(11-16)10-15-6-4-3-5-7-15/h3-8,12,14,16H,9-11H2,1-2H3,(H,18,19,20)
InChIKeyLMDOITIXXMZXEQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.86
Rot. Bonds4

About N-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyrimidin-4-amine

N-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyrimidin-4-amine (PubChem CID 130857368) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyrimidin-4-amine
PubChem CID130857368
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CC(C)N(Cc3ccccc3)C2)ncn1
InChIInChI=1S/C17H22N4/c1-13-8-17(19-12-18-13)20-16-9-14(2)21(11-16)10-15-6-4-3-5-7-15/h3-8,12,14,16H,9-11H2,1-2H3,(H,18,19,20)
InChIKeyLMDOITIXXMZXEQ-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyrimidin-4-amine (CID 130857368) is N-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyrimidin-4-amine is Cc1cc(NC2CC(C)N(Cc3ccccc3)C2)ncn1.
What is the InChIKey of N-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyrimidin-4-amine?
The InChIKey is LMDOITIXXMZXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-13-8-17(19-12-18-13)20-16-9-14(2)21(11-16)10-15-6-4-3-5-7-15/h3-8,12,14,16H,9-11H2,1-2H3,(H,18,19,20).
What are the key properties of N-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyrimidin-4-amine?
N-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyrimidin-4-amine has a molecular weight of 282.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 130857368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).