(3R)-1-benzyl-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine

C17H22N4 — CID 129335856

IUPAC(3R)-1-benzyl-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
SMILESCN(Cc1ncccn1)[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H22N4/c1-20(14-17-18-9-5-10-19-17)16-8-11-21(13-16)12-15-6-3-2-4-7-15/h2-7,9-10,16H,8,11-14H2,1H3/t16-/m1/s1
InChIKeyJHOJGGJLUZDBJP-MRXNPFEDSA-N
MW282.39 g/mol
LogP2.18
Rot. Bonds5

About (3R)-1-benzyl-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine

(3R)-1-benzyl-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine (PubChem CID 129335856) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is (3R)-1-benzyl-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-benzyl-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
PubChem CID129335856
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name(3R)-1-benzyl-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
SMILESCN(Cc1ncccn1)[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H22N4/c1-20(14-17-18-9-5-10-19-17)16-8-11-21(13-16)12-15-6-3-2-4-7-15/h2-7,9-10,16H,8,11-14H2,1H3/t16-/m1/s1
InChIKeyJHOJGGJLUZDBJP-MRXNPFEDSA-N
XLogP2.18
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Tripelennamine
CID 5587
Tripelennamine Hydrochloride
CID 9066
4-Phenylpyrimidine
CID 18923
1-benzyl-5-phenyl-1H-imidazole
CID 10444038
Ngd 94-1
CID 188942
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl)pyrimidin-2-ylamine
CID 11681588
N-benzylpyrimidin-5-amine
CID 819920
2,4-Disubstituted Pyrimidine 2b
CID 5329415
2,4-Disubstituted Pyrimidine 2c
CID 5329416
2,4-Disubstituted Pyrimidine 5h
CID 5329443
2-(4-Methylpiperazin-1-yl)-4-phenylpyrimidine
CID 10332554
Pyridine, 3-(1-methyl-1H-imidazol-4-yl)-
CID 11344157

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of (3R)-1-benzyl-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine (CID 129335856) is (3R)-1-benzyl-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-benzyl-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-benzyl-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine is CN(Cc1ncccn1)[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-benzyl-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine?
The InChIKey is JHOJGGJLUZDBJP-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N4/c1-20(14-17-18-9-5-10-19-17)16-8-11-21(13-16)12-15-6-3-2-4-7-15/h2-7,9-10,16H,8,11-14H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-1-benzyl-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine?
(3R)-1-benzyl-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine has a molecular weight of 282.39 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 129335856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).