(3R)-N-[(2-chloropyrimidin-4-yl)methyl]pyrrolidin-3-amine

C9H13ClN4 — CID 71640491

IUPAC(3R)-N-[(2-chloropyrimidin-4-yl)methyl]pyrrolidin-3-amine
SMILESClc1nccc(CN[C@@H]2CCNC2)n1
InChIInChI=1S/C9H13ClN4/c10-9-12-4-2-8(14-9)6-13-7-1-3-11-5-7/h2,4,7,11,13H,1,3,5-6H2/t7-/m1/s1
InChIKeyLOWBPFCLJBFDSR-SSDOTTSWSA-N
MW212.68 g/mol
LogP0.58
Rot. Bonds3

About (3R)-N-[(2-chloropyrimidin-4-yl)methyl]pyrrolidin-3-amine

(3R)-N-[(2-chloropyrimidin-4-yl)methyl]pyrrolidin-3-amine (PubChem CID 71640491) has the molecular formula C9H13ClN4 and a molecular weight of 212.68 g/mol. Its IUPAC name is (3R)-N-[(2-chloropyrimidin-4-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[(2-chloropyrimidin-4-yl)methyl]pyrrolidin-3-amine
PubChem CID71640491
Molecular FormulaC9H13ClN4
Molecular Weight212.68 g/mol
Exact Mass212.08
IUPAC Name(3R)-N-[(2-chloropyrimidin-4-yl)methyl]pyrrolidin-3-amine
SMILESClc1nccc(CN[C@@H]2CCNC2)n1
InChIInChI=1S/C9H13ClN4/c10-9-12-4-2-8(14-9)6-13-7-1-3-11-5-7/h2,4,7,11,13H,1,3,5-6H2/t7-/m1/s1
InChIKeyLOWBPFCLJBFDSR-SSDOTTSWSA-N
XLogP0.58
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-chloropyrimidin-4-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-N-[(2-chloropyrimidin-4-yl)methyl]pyrrolidin-3-amine (CID 71640491) is (3R)-N-[(2-chloropyrimidin-4-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-[(2-chloropyrimidin-4-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-N-[(2-chloropyrimidin-4-yl)methyl]pyrrolidin-3-amine is Clc1nccc(CN[C@@H]2CCNC2)n1.
What is the InChIKey of (3R)-N-[(2-chloropyrimidin-4-yl)methyl]pyrrolidin-3-amine?
The InChIKey is LOWBPFCLJBFDSR-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13ClN4/c10-9-12-4-2-8(14-9)6-13-7-1-3-11-5-7/h2,4,7,11,13H,1,3,5-6H2/t7-/m1/s1.
What are the key properties of (3R)-N-[(2-chloropyrimidin-4-yl)methyl]pyrrolidin-3-amine?
(3R)-N-[(2-chloropyrimidin-4-yl)methyl]pyrrolidin-3-amine has a molecular weight of 212.68 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-chloropyrimidin-4-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 71640491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).