1-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine

C17H22N4 — CID 61016801

IUPAC1-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine
SMILESCc1nccc(CNC2CCN(Cc3ccccc3)C2)n1
InChIInChI=1S/C17H22N4/c1-14-18-9-7-16(20-14)11-19-17-8-10-21(13-17)12-15-5-3-2-4-6-15/h2-7,9,17,19H,8,10-13H2,1H3
InChIKeyCZYKBFQEYFJAJU-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.15
Rot. Bonds5

About 1-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine

1-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine (PubChem CID 61016801) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine
PubChem CID61016801
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name1-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine
SMILESCc1nccc(CNC2CCN(Cc3ccccc3)C2)n1
InChIInChI=1S/C17H22N4/c1-14-18-9-7-16(20-14)11-19-17-8-10-21(13-17)12-15-5-3-2-4-6-15/h2-7,9,17,19H,8,10-13H2,1H3
InChIKeyCZYKBFQEYFJAJU-UHFFFAOYSA-N
XLogP2.15
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
CID 43223648
1-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine
CID 62747897
1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
CID 61285826
1-benzyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 102673140
1-(3-methylbut-2-enyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-amine
CID 61015864
1-benzyl-N-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 62357775
1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]azepan-4-amine
CID 65069995
1-benzyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
CID 56718052
N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine
CID 60962032
1-benzyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 60982783
1-benzyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-amine
CID 60713870
(3S)-1-benzyl-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 95221422

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine (CID 61016801) is 1-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine is Cc1nccc(CNC2CCN(Cc3ccccc3)C2)n1.
What is the InChIKey of 1-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine?
The InChIKey is CZYKBFQEYFJAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-14-18-9-7-16(20-14)11-19-17-8-10-21(13-17)12-15-5-3-2-4-6-15/h2-7,9,17,19H,8,10-13H2,1H3.
What are the key properties of 1-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine?
1-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine has a molecular weight of 282.39 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 61016801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).