4-(pyrrolidin-2-ylmethyl)pyrimidine

C9H13N3 — CID 82596500

IUPAC4-(pyrrolidin-2-ylmethyl)pyrimidine
SMILESc1cc(CC2CCCN2)ncn1
InChIInChI=1S/C9H13N3/c1-2-8(11-4-1)6-9-3-5-10-7-12-9/h3,5,7-8,11H,1-2,4,6H2
InChIKeyJIFRHWSJCYCWQG-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.77
Rot. Bonds2

About 4-(pyrrolidin-2-ylmethyl)pyrimidine

4-(pyrrolidin-2-ylmethyl)pyrimidine (PubChem CID 82596500) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-(pyrrolidin-2-ylmethyl)pyrimidine.

Molecular Properties

Compound Name4-(pyrrolidin-2-ylmethyl)pyrimidine
PubChem CID82596500
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name4-(pyrrolidin-2-ylmethyl)pyrimidine
SMILESc1cc(CC2CCCN2)ncn1
InChIInChI=1S/C9H13N3/c1-2-8(11-4-1)6-9-3-5-10-7-12-9/h3,5,7-8,11H,1-2,4,6H2
InChIKeyJIFRHWSJCYCWQG-UHFFFAOYSA-N
XLogP0.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyrimidin-4-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603001
N-methyl-1-piperidin-2-yl-N-(pyrimidin-4-ylmethyl)methanamine
CID 106622951
4-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 102820373
5-chloro-2-(pyrrolidin-2-ylmethyl)pyridine
CID 82657762
3-(pyrrolidin-2-ylmethyl)-1,2-oxazole
CID 82595027
N,N-dimethyl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-amine
CID 11593670
4-pyrrolidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridine
CID 11287692
3-chloro-4-(pyrrolidin-2-ylmethoxy)pyridine
CID 79840170
3-(pyrimidin-4-ylmethylamino)piperidin-2-one
CID 62748926
5-chloro-3-(pyrrolidin-2-ylmethyl)-1,2-oxazole
CID 84719045
1,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrazole
CID 82600329
3-(piperidin-2-ylmethyl)-4-propan-2-ylpyridine
CID 115009220

Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidin-2-ylmethyl)pyrimidine?
The IUPAC name of 4-(pyrrolidin-2-ylmethyl)pyrimidine (CID 82596500) is 4-(pyrrolidin-2-ylmethyl)pyrimidine.
What is the SMILES notation for 4-(pyrrolidin-2-ylmethyl)pyrimidine?
The canonical SMILES for 4-(pyrrolidin-2-ylmethyl)pyrimidine is c1cc(CC2CCCN2)ncn1.
What is the InChIKey of 4-(pyrrolidin-2-ylmethyl)pyrimidine?
The InChIKey is JIFRHWSJCYCWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-8(11-4-1)6-9-3-5-10-7-12-9/h3,5,7-8,11H,1-2,4,6H2.
What are the key properties of 4-(pyrrolidin-2-ylmethyl)pyrimidine?
4-(pyrrolidin-2-ylmethyl)pyrimidine has a molecular weight of 163.22 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidin-2-ylmethyl)pyrimidine is sourced from PubChem (CID 82596500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).