(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-amine

C11H19N5 — CID 91911059

IUPAC(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-amine
SMILESCN(C)C[C@@H]1CN(c2ncccn2)C[C@H]1N
InChIInChI=1S/C11H19N5/c1-15(2)6-9-7-16(8-10(9)12)11-13-4-3-5-14-11/h3-5,9-10H,6-8,12H2,1-2H3/t9-,10-/m1/s1
InChIKeyRSVRBCSHEBACHQ-NXEZZACHSA-N
MW221.31 g/mol
LogP-0.20
Rot. Bonds3

About (3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-amine

(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-amine (PubChem CID 91911059) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is (3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-amine
PubChem CID91911059
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-amine
SMILESCN(C)C[C@@H]1CN(c2ncccn2)C[C@H]1N
InChIInChI=1S/C11H19N5/c1-15(2)6-9-7-16(8-10(9)12)11-13-4-3-5-14-11/h3-5,9-10H,6-8,12H2,1-2H3/t9-,10-/m1/s1
InChIKeyRSVRBCSHEBACHQ-NXEZZACHSA-N
XLogP-0.20
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-amine (CID 91911059) is (3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-amine is CN(C)C[C@@H]1CN(c2ncccn2)C[C@H]1N.
What is the InChIKey of (3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-amine?
The InChIKey is RSVRBCSHEBACHQ-NXEZZACHSA-N. The full InChI is InChI=1S/C11H19N5/c1-15(2)6-9-7-16(8-10(9)12)11-13-4-3-5-14-11/h3-5,9-10H,6-8,12H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-amine?
(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-amine has a molecular weight of 221.31 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 91911059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).