5-pyridin-4-yl-N-(2-pyrrolidin-3-ylethyl)pyrimidin-2-amine

C15H19N5 — CID 116975968

IUPAC5-pyridin-4-yl-N-(2-pyrrolidin-3-ylethyl)pyrimidin-2-amine
SMILESc1cc(-c2cnc(NCCC3CCNC3)nc2)ccn1
InChIInChI=1S/C15H19N5/c1-5-17-9-12(1)2-8-18-15-19-10-14(11-20-15)13-3-6-16-7-4-13/h3-4,6-7,10-12,17H,1-2,5,8-9H2,(H,18,19,20)
InChIKeyKWZSZDAWAIPKDG-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.95
Rot. Bonds5

About 5-pyridin-4-yl-N-(2-pyrrolidin-3-ylethyl)pyrimidin-2-amine

5-pyridin-4-yl-N-(2-pyrrolidin-3-ylethyl)pyrimidin-2-amine (PubChem CID 116975968) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-pyridin-4-yl-N-(2-pyrrolidin-3-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-pyridin-4-yl-N-(2-pyrrolidin-3-ylethyl)pyrimidin-2-amine
PubChem CID116975968
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name5-pyridin-4-yl-N-(2-pyrrolidin-3-ylethyl)pyrimidin-2-amine
SMILESc1cc(-c2cnc(NCCC3CCNC3)nc2)ccn1
InChIInChI=1S/C15H19N5/c1-5-17-9-12(1)2-8-18-15-19-10-14(11-20-15)13-3-6-16-7-4-13/h3-4,6-7,10-12,17H,1-2,5,8-9H2,(H,18,19,20)
InChIKeyKWZSZDAWAIPKDG-UHFFFAOYSA-N
XLogP1.95
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-nitro-N-(2-pyrrolidin-3-ylethyl)pyrimidin-2-amine
CID 63622520
N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
CID 63629890
5-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
CID 63630057
5-methyl-N-(2-piperidin-4-ylethyl)pyrimidin-2-amine
CID 116975989
N-piperidin-3-yl-5-pyridin-4-ylpyrimidin-2-amine
CID 116974754
4-(2-pyrrolidin-3-ylethyl)pyridine
CID 83481928
4-(2-pyrrolidin-3-ylethyl)pyridine;dihydrochloride
CID 126845941
N-(azetidin-3-yl)-5-pyridin-4-ylpyrimidin-2-amine
CID 116974683
2-(azetidin-3-yl)-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine
CID 165474821
3-bromo-N-(2-piperidin-3-ylethyl)pyridin-4-amine
CID 104777475
2-methyl-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine
CID 103542541
5-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-2-amine
CID 80563182

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-N-(2-pyrrolidin-3-ylethyl)pyrimidin-2-amine?
The IUPAC name of 5-pyridin-4-yl-N-(2-pyrrolidin-3-ylethyl)pyrimidin-2-amine (CID 116975968) is 5-pyridin-4-yl-N-(2-pyrrolidin-3-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-pyridin-4-yl-N-(2-pyrrolidin-3-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 5-pyridin-4-yl-N-(2-pyrrolidin-3-ylethyl)pyrimidin-2-amine is c1cc(-c2cnc(NCCC3CCNC3)nc2)ccn1.
What is the InChIKey of 5-pyridin-4-yl-N-(2-pyrrolidin-3-ylethyl)pyrimidin-2-amine?
The InChIKey is KWZSZDAWAIPKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-5-17-9-12(1)2-8-18-15-19-10-14(11-20-15)13-3-6-16-7-4-13/h3-4,6-7,10-12,17H,1-2,5,8-9H2,(H,18,19,20).
What are the key properties of 5-pyridin-4-yl-N-(2-pyrrolidin-3-ylethyl)pyrimidin-2-amine?
5-pyridin-4-yl-N-(2-pyrrolidin-3-ylethyl)pyrimidin-2-amine has a molecular weight of 269.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-N-(2-pyrrolidin-3-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 116975968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).