(2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-amine

C15H22N6 — CID 97392099

IUPAC(2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-amine
SMILESCN(C)[C@@H]1CCN(c2ncccn2)[C@H]1Cc1cnn(C)c1
InChIInChI=1S/C15H22N6/c1-19(2)13-5-8-21(15-16-6-4-7-17-15)14(13)9-12-10-18-20(3)11-12/h4,6-7,10-11,13-14H,5,8-9H2,1-3H3/t13-,14+/m1/s1
InChIKeyAJGXNQMRUZJZBS-KGLIPLIRSA-N
MW286.38 g/mol
LogP0.96
Rot. Bonds4

About (2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-amine

(2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-amine (PubChem CID 97392099) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is (2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-amine
PubChem CID97392099
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name(2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-amine
SMILESCN(C)[C@@H]1CCN(c2ncccn2)[C@H]1Cc1cnn(C)c1
InChIInChI=1S/C15H22N6/c1-19(2)13-5-8-21(15-16-6-4-7-17-15)14(13)9-12-10-18-20(3)11-12/h4,6-7,10-11,13-14H,5,8-9H2,1-3H3/t13-,14+/m1/s1
InChIKeyAJGXNQMRUZJZBS-KGLIPLIRSA-N
XLogP0.96
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-amine?
The IUPAC name of (2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-amine (CID 97392099) is (2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-amine?
The canonical SMILES for (2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-amine is CN(C)[C@@H]1CCN(c2ncccn2)[C@H]1Cc1cnn(C)c1.
What is the InChIKey of (2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-amine?
The InChIKey is AJGXNQMRUZJZBS-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H22N6/c1-19(2)13-5-8-21(15-16-6-4-7-17-15)14(13)9-12-10-18-20(3)11-12/h4,6-7,10-11,13-14H,5,8-9H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of (2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-amine?
(2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-amine has a molecular weight of 286.38 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 97392099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).