2-chloro-N-cyclopropylpyrimidin-4-amine

C7H8ClN3 — CID 22309651

IUPAC2-chloro-N-cyclopropylpyrimidin-4-amine
SMILESClc1nccc(NC2CC2)n1
InChIInChI=1S/C7H8ClN3/c8-7-9-4-3-6(11-7)10-5-1-2-5/h3-5H,1-2H2,(H,9,10,11)
InChIKeyGMKDIJOOBWRXFY-UHFFFAOYSA-N
MW169.62 g/mol
LogP1.70
Rot. Bonds2

About 2-chloro-N-cyclopropylpyrimidin-4-amine

2-chloro-N-cyclopropylpyrimidin-4-amine (PubChem CID 22309651) has the molecular formula C7H8ClN3 and a molecular weight of 169.62 g/mol. Its IUPAC name is 2-chloro-N-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclopropylpyrimidin-4-amine
PubChem CID22309651
Molecular FormulaC7H8ClN3
Molecular Weight169.62 g/mol
Exact Mass169.04
IUPAC Name2-chloro-N-cyclopropylpyrimidin-4-amine
SMILESClc1nccc(NC2CC2)n1
InChIInChI=1S/C7H8ClN3/c8-7-9-4-3-6(11-7)10-5-1-2-5/h3-5H,1-2H2,(H,9,10,11)
InChIKeyGMKDIJOOBWRXFY-UHFFFAOYSA-N
XLogP1.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.62
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Aminopyrimidine
CID 7978
N-(1-Methylethyl)-2-pyrimidinamine
CID 71169
2,4-Diaminopyrimidine
CID 67431
N-methylpyrimidin-2-amine
CID 265776
2-Methylpyrimidin-4-amine
CID 295763
2-Chloro-N,N-dimethylpyrimidin-4-amine
CID 95975
4-Aminopyrimidine
CID 68958
2-O-Methylcytosine
CID 160679
4-(Cyclohexylamino)pyrimidine-2-carbonitrile
CID 16108884
2-(Trifluoromethyl)pyrimidin-4-amine
CID 244056
N-cyclohexylpyrimidin-2-amine
CID 21252719
2-Fluoropyrimidin-4-amine
CID 339392

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-cyclopropylpyrimidin-4-amine (CID 22309651) is 2-chloro-N-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclopropylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-cyclopropylpyrimidin-4-amine is Clc1nccc(NC2CC2)n1.
What is the InChIKey of 2-chloro-N-cyclopropylpyrimidin-4-amine?
The InChIKey is GMKDIJOOBWRXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3/c8-7-9-4-3-6(11-7)10-5-1-2-5/h3-5H,1-2H2,(H,9,10,11).
What are the key properties of 2-chloro-N-cyclopropylpyrimidin-4-amine?
2-chloro-N-cyclopropylpyrimidin-4-amine has a molecular weight of 169.62 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 22309651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).