5-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine

C14H17N5 — CID 116974799

IUPAC5-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
SMILESc1ccc(-c2cnc(NCC3CCCN3)nc2)nc1
InChIInChI=1S/C14H17N5/c1-2-6-16-13(5-1)11-8-17-14(18-9-11)19-10-12-4-3-7-15-12/h1-2,5-6,8-9,12,15H,3-4,7,10H2,(H,17,18,19)
InChIKeyNCZYCUSQOWJPTL-UHFFFAOYSA-N
MW255.33 g/mol
LogP1.70
Rot. Bonds4

About 5-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine

5-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine (PubChem CID 116974799) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is 5-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
PubChem CID116974799
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC Name5-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
SMILESc1ccc(-c2cnc(NCC3CCCN3)nc2)nc1
InChIInChI=1S/C14H17N5/c1-2-6-16-13(5-1)11-8-17-14(18-9-11)19-10-12-4-3-7-15-12/h1-2,5-6,8-9,12,15H,3-4,7,10H2,(H,17,18,19)
InChIKeyNCZYCUSQOWJPTL-UHFFFAOYSA-N
XLogP1.70
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 116974786
5-cyclohexyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 116974804
4-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 83836767
2-(2-piperidin-2-ylethyl)-5-pyridin-2-yl-1,3,4-oxadiazole
CID 82132508
N-methyl-N'-(5-pyridin-2-ylpyrimidin-2-yl)ethane-1,2-diamine
CID 116974213
N-(2-pyrrolidin-2-ylethyl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine
CID 116975951
4-phenyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 24936245
2-chloro-4-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine
CID 106638659
3-[(5-pyridin-2-ylpyrimidin-2-yl)amino]propanoic acid
CID 116975157
3-methoxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 83833834
N-(pyrrolidin-2-ylmethyl)pyridine-2-sulfonamide;hydrochloride
CID 66570297
3-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine
CID 97164043

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine (CID 116974799) is 5-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine is c1ccc(-c2cnc(NCC3CCCN3)nc2)nc1.
What is the InChIKey of 5-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is NCZYCUSQOWJPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-2-6-16-13(5-1)11-8-17-14(18-9-11)19-10-12-4-3-7-15-12/h1-2,5-6,8-9,12,15H,3-4,7,10H2,(H,17,18,19).
What are the key properties of 5-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
5-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 255.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 116974799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).