5-chloro-N-pyrrolidin-3-ylpyrimidin-4-amine

C8H11ClN4 — CID 105369904

IUPAC5-chloro-N-pyrrolidin-3-ylpyrimidin-4-amine
SMILESClc1cncnc1NC1CCNC1
InChIInChI=1S/C8H11ClN4/c9-7-4-11-5-12-8(7)13-6-1-2-10-3-6/h4-6,10H,1-3H2,(H,11,12,13)
InChIKeyPQIFMAZYURNRBH-UHFFFAOYSA-N
MW198.66 g/mol
LogP0.90
Rot. Bonds2

About 5-chloro-N-pyrrolidin-3-ylpyrimidin-4-amine

5-chloro-N-pyrrolidin-3-ylpyrimidin-4-amine (PubChem CID 105369904) has the molecular formula C8H11ClN4 and a molecular weight of 198.66 g/mol. Its IUPAC name is 5-chloro-N-pyrrolidin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-pyrrolidin-3-ylpyrimidin-4-amine
PubChem CID105369904
Molecular FormulaC8H11ClN4
Molecular Weight198.66 g/mol
Exact Mass198.07
IUPAC Name5-chloro-N-pyrrolidin-3-ylpyrimidin-4-amine
SMILESClc1cncnc1NC1CCNC1
InChIInChI=1S/C8H11ClN4/c9-7-4-11-5-12-8(7)13-6-1-2-10-3-6/h4-6,10H,1-3H2,(H,11,12,13)
InChIKeyPQIFMAZYURNRBH-UHFFFAOYSA-N
XLogP0.90
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.66
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2-methylpiperidin-4-yl)pyrimidin-4-amine
CID 106996173
5-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine
CID 105369623
5-chloro-N-(3-methylcyclobutyl)pyrimidin-4-amine
CID 105369616
5-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine
CID 105369492
5-chloro-N-(3-methylcyclohexyl)pyrimidin-4-amine
CID 105369162
5-chloro-4-N-methyl-2-N-pyrrolidin-3-ylpyrimidine-2,4-diamine
CID 175114467
N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
CID 141413091
N-(5-chloropyrimidin-4-yl)piperidine-4-carboxamide
CID 142787332
2-[(5-chloropyrimidin-4-yl)amino]cyclohexan-1-ol
CID 105369367
3,5-dichloro-N-piperidin-4-ylpyridin-4-amine
CID 134359724
6-chloro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
CID 71639835
N-[(3S)-pyrrolidin-3-yl]-7H-purin-6-amine
CID 140997133

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-pyrrolidin-3-ylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-pyrrolidin-3-ylpyrimidin-4-amine (CID 105369904) is 5-chloro-N-pyrrolidin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-pyrrolidin-3-ylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-pyrrolidin-3-ylpyrimidin-4-amine is Clc1cncnc1NC1CCNC1.
What is the InChIKey of 5-chloro-N-pyrrolidin-3-ylpyrimidin-4-amine?
The InChIKey is PQIFMAZYURNRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4/c9-7-4-11-5-12-8(7)13-6-1-2-10-3-6/h4-6,10H,1-3H2,(H,11,12,13).
What are the key properties of 5-chloro-N-pyrrolidin-3-ylpyrimidin-4-amine?
5-chloro-N-pyrrolidin-3-ylpyrimidin-4-amine has a molecular weight of 198.66 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-pyrrolidin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 105369904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).