6-chloro-5-prop-2-enylpyrimidin-4-amine

C7H8ClN3 — CID 10877547

IUPAC6-chloro-5-prop-2-enylpyrimidin-4-amine
SMILESC=CCc1c(N)ncnc1Cl
InChIInChI=1S/C7H8ClN3/c1-2-3-5-6(8)10-4-11-7(5)9/h2,4H,1,3H2,(H2,9,10,11)
InChIKeyWJTWTSJZTVGLHL-UHFFFAOYSA-N
MW169.62 g/mol
LogP1.44
Rot. Bonds2

About 6-chloro-5-prop-2-enylpyrimidin-4-amine

6-chloro-5-prop-2-enylpyrimidin-4-amine (PubChem CID 10877547) has the molecular formula C7H8ClN3 and a molecular weight of 169.62 g/mol. Its IUPAC name is 6-chloro-5-prop-2-enylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-prop-2-enylpyrimidin-4-amine
PubChem CID10877547
Molecular FormulaC7H8ClN3
Molecular Weight169.62 g/mol
Exact Mass169.04
IUPAC Name6-chloro-5-prop-2-enylpyrimidin-4-amine
SMILESC=CCc1c(N)ncnc1Cl
InChIInChI=1S/C7H8ClN3/c1-2-3-5-6(8)10-4-11-7(5)9/h2,4H,1,3H2,(H2,9,10,11)
InChIKeyWJTWTSJZTVGLHL-UHFFFAOYSA-N
XLogP1.44
TPSA51.80 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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-Allyl-2,4,6-trichloropyrimidine
CID 260780
6-Chloro-2-methyl-5-(prop-2-en-1-yl)pyrimidin-4(3H)-imine
CID 913023
4-Pyrimidinamine, 6-chloro-N,2-dimethyl-5-(2-propenyl)-
CID 3070102
6-Chloro-5-methylpyrimidin-4-amine
CID 21934626
4,6-Dichloro-5-(propan-2-yl)pyrimidine
CID 22138881
6-Chloro-5-cyclopropylpyrimidin-4-amine
CID 46739895
5-Allyl-4,6-dichloropyrimidine
CID 519208
5-Allyl-4,6-dichloro-2-methylpyrimidine
CID 13070837
4,6-Dichloro-5-ethylpyrimidine
CID 21828432
5-Allyl-6-aminopyrimidine
CID 129789560
6-Chloro-5-(3-fluoropropyl)pyrimidin-4-amine
CID 123699533
6-Chloro-5-(2-fluoroethyl)pyrimidin-4-amine
CID 124004803

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-prop-2-enylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-prop-2-enylpyrimidin-4-amine (CID 10877547) is 6-chloro-5-prop-2-enylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-prop-2-enylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-prop-2-enylpyrimidin-4-amine is C=CCc1c(N)ncnc1Cl.
What is the InChIKey of 6-chloro-5-prop-2-enylpyrimidin-4-amine?
The InChIKey is WJTWTSJZTVGLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3/c1-2-3-5-6(8)10-4-11-7(5)9/h2,4H,1,3H2,(H2,9,10,11).
What are the key properties of 6-chloro-5-prop-2-enylpyrimidin-4-amine?
6-chloro-5-prop-2-enylpyrimidin-4-amine has a molecular weight of 169.62 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-prop-2-enylpyrimidin-4-amine is sourced from PubChem (CID 10877547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).