N-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine

C14H16ClN5 — CID 172893095

IUPACN-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine
SMILESClc1ccc(CN2CCC(Nc3ncccn3)C2)cn1
InChIInChI=1S/C14H16ClN5/c15-13-3-2-11(8-18-13)9-20-7-4-12(10-20)19-14-16-5-1-6-17-14/h1-3,5-6,8,12H,4,7,9-10H2,(H,16,17,19)
InChIKeySPWRVCHBHFAFNW-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.21
Rot. Bonds4

About N-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine

N-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine (PubChem CID 172893095) has the molecular formula C14H16ClN5 and a molecular weight of 289.77 g/mol. Its IUPAC name is N-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine
PubChem CID172893095
Molecular FormulaC14H16ClN5
Molecular Weight289.77 g/mol
Exact Mass289.11
IUPAC NameN-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine
SMILESClc1ccc(CN2CCC(Nc3ncccn3)C2)cn1
InChIInChI=1S/C14H16ClN5/c15-13-3-2-11(8-18-13)9-20-7-4-12(10-20)19-14-16-5-1-6-17-14/h1-3,5-6,8,12H,4,7,9-10H2,(H,16,17,19)
InChIKeySPWRVCHBHFAFNW-UHFFFAOYSA-N
XLogP2.21
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172893096
(3R)-1-[(6-chloro-3-pyridinyl)methyl]-N-methylpiperidin-3-amine
CID 94476054
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine
CID 97203878
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 3059133
6-N-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 172893220
N-[1-[(3,5-dichloro-2-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 136569824
tert-butyl N-[(3R)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]carbamate
CID 71629138
1-[(6-chloro-3-pyridinyl)methyl]-4-methylpiperidin-3-ol
CID 103898564
1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine
CID 43556713
N-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]pyrimidin-2-amine
CID 172881578
2-[(6-chloro-3-pyridinyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 62112327
1-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine
CID 112630186

Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine (CID 172893095) is N-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine is Clc1ccc(CN2CCC(Nc3ncccn3)C2)cn1.
What is the InChIKey of N-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine?
The InChIKey is SPWRVCHBHFAFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5/c15-13-3-2-11(8-18-13)9-20-7-4-12(10-20)19-14-16-5-1-6-17-14/h1-3,5-6,8,12H,4,7,9-10H2,(H,16,17,19).
What are the key properties of N-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine?
N-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine has a molecular weight of 289.77 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 172893095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).