5-chloro-N-pent-4-en-2-ylpyrimidin-2-amine

C9H12ClN3 — CID 115674175

IUPAC5-chloro-N-pent-4-en-2-ylpyrimidin-2-amine
SMILESC=CCC(C)Nc1ncc(Cl)cn1
InChIInChI=1S/C9H12ClN3/c1-3-4-7(2)13-9-11-5-8(10)6-12-9/h3,5-7H,1,4H2,2H3,(H,11,12,13)
InChIKeyCVYDWSCGNDXROH-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.51
Rot. Bonds4

About 5-chloro-N-pent-4-en-2-ylpyrimidin-2-amine

5-chloro-N-pent-4-en-2-ylpyrimidin-2-amine (PubChem CID 115674175) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 5-chloro-N-pent-4-en-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-pent-4-en-2-ylpyrimidin-2-amine
PubChem CID115674175
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name5-chloro-N-pent-4-en-2-ylpyrimidin-2-amine
SMILESC=CCC(C)Nc1ncc(Cl)cn1
InChIInChI=1S/C9H12ClN3/c1-3-4-7(2)13-9-11-5-8(10)6-12-9/h3,5-7H,1,4H2,2H3,(H,11,12,13)
InChIKeyCVYDWSCGNDXROH-UHFFFAOYSA-N
XLogP2.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.51
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

(3R)-3-[(5-chloropyrimidin-2-yl)amino]butan-1-ol
CID 130617035
2-N-(5-chloropyrimidin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82937690
5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-amine
CID 130949799
5-chloro-N-prop-2-enylpyrimidin-2-amine
CID 79555505
5-chloro-N-(3-ethylpentan-2-yl)pyrimidin-2-amine
CID 79557732
2-N-(5-chloropyrimidin-2-yl)pentane-2,3-diamine
CID 130892533
2-[(5-chloropyrimidin-2-yl)amino]-4-methylpentan-1-ol
CID 79557211
5-chloro-N-(3-methyl-3-phenylbutan-2-yl)pyrimidin-2-amine
CID 133349967
5-chloro-N-(1-cyclopropylbutan-2-yl)pyrimidin-2-amine
CID 79556553
N-[1-(4-chlorophenyl)ethyl]pent-4-en-2-amine
CID 115632133
5-chloro-N-(2,3-dimethylbutyl)pyrimidin-2-amine
CID 79557408
4-methyl-N-pent-4-en-2-yl-6-propan-2-yloxypyrimidin-2-amine
CID 113466642

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-pent-4-en-2-ylpyrimidin-2-amine?
The IUPAC name of 5-chloro-N-pent-4-en-2-ylpyrimidin-2-amine (CID 115674175) is 5-chloro-N-pent-4-en-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-pent-4-en-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-pent-4-en-2-ylpyrimidin-2-amine is C=CCC(C)Nc1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-N-pent-4-en-2-ylpyrimidin-2-amine?
The InChIKey is CVYDWSCGNDXROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-3-4-7(2)13-9-11-5-8(10)6-12-9/h3,5-7H,1,4H2,2H3,(H,11,12,13).
What are the key properties of 5-chloro-N-pent-4-en-2-ylpyrimidin-2-amine?
5-chloro-N-pent-4-en-2-ylpyrimidin-2-amine has a molecular weight of 197.67 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-pent-4-en-2-ylpyrimidin-2-amine is sourced from PubChem (CID 115674175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).