N-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]pyrimidin-2-amine

C15H19N5 — CID 172881578

IUPACN-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]pyrimidin-2-amine
SMILESc1cnc(NC2CCN(CCc3cccnc3)C2)nc1
InChIInChI=1S/C15H19N5/c1-3-13(11-16-6-1)4-9-20-10-5-14(12-20)19-15-17-7-2-8-18-15/h1-3,6-8,11,14H,4-5,9-10,12H2,(H,17,18,19)
InChIKeyJNHQVMQEIOYUFJ-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.60
Rot. Bonds5

About N-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]pyrimidin-2-amine

N-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]pyrimidin-2-amine (PubChem CID 172881578) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]pyrimidin-2-amine
PubChem CID172881578
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC NameN-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]pyrimidin-2-amine
SMILESc1cnc(NC2CCN(CCc3cccnc3)C2)nc1
InChIInChI=1S/C15H19N5/c1-3-13(11-16-6-1)4-9-20-10-5-14(12-20)19-15-17-7-2-8-18-15/h1-3,6-8,11,14H,4-5,9-10,12H2,(H,17,18,19)
InChIKeyJNHQVMQEIOYUFJ-UHFFFAOYSA-N
XLogP1.60
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-5-prop-2-enylpyrimidin-2-amine
CID 141133441
5-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 122558298
2-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol
CID 115647965
1-(2-pyridin-3-ylethyl)piperidin-3-ol
CID 63262678
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
N-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 172893095
3-[2-(3-phenylpiperidin-1-yl)ethyl]pyridine
CID 56852589
[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanol
CID 63262723
2-cyclopropyl-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172900331
5-propyl-N-(1-propylpyrrolidin-3-yl)pyrimidin-2-amine
CID 131936847
N-methyl-1-[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanamine;dihydrochloride
CID 119914710
4-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 125435533

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]pyrimidin-2-amine (CID 172881578) is N-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]pyrimidin-2-amine is c1cnc(NC2CCN(CCc3cccnc3)C2)nc1.
What is the InChIKey of N-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]pyrimidin-2-amine?
The InChIKey is JNHQVMQEIOYUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-3-13(11-16-6-1)4-9-20-10-5-14(12-20)19-15-17-7-2-8-18-15/h1-3,6-8,11,14H,4-5,9-10,12H2,(H,17,18,19).
What are the key properties of N-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]pyrimidin-2-amine?
N-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]pyrimidin-2-amine has a molecular weight of 269.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 172881578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).