2-chloro-5-methyl-6-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine

C8H11ClN2 — CID 163856048

IUPAC2-chloro-5-methyl-6-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine
SMILESC/C=C\C1=C(C)CN=C(Cl)N1
InChIInChI=1S/C8H11ClN2/c1-3-4-7-6(2)5-10-8(9)11-7/h3-4H,5H2,1-2H3,(H,10,11)/b4-3-
InChIKeyOYJVSRWWKRKWII-ARJAWSKDSA-N
MW170.64 g/mol
LogP2.03
Rot. Bonds1

About 2-chloro-5-methyl-6-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine

2-chloro-5-methyl-6-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine (PubChem CID 163856048) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 2-chloro-5-methyl-6-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2-chloro-5-methyl-6-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine
PubChem CID163856048
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name2-chloro-5-methyl-6-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine
SMILESC/C=C\C1=C(C)CN=C(Cl)N1
InChIInChI=1S/C8H11ClN2/c1-3-4-7-6(2)5-10-8(9)11-7/h3-4H,5H2,1-2H3,(H,10,11)/b4-3-
InChIKeyOYJVSRWWKRKWII-ARJAWSKDSA-N
XLogP2.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-[(4Z)-2-methylhexa-2,4-dien-3-yl]carbamimidoyl chloride
CID 88189430
N-[(2Z,4Z)-1-amino-2-methylhexa-2,4-dien-3-yl]-N'-methylmethanimidamide
CID 90454013
2-chloro-5-ethyl-6-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine
CID 123733809
2-Methyl-1-(4-methylpenta-1,3-dien-3-yl)guanidine
CID 156730593

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-6-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine?
The IUPAC name of 2-chloro-5-methyl-6-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine (CID 163856048) is 2-chloro-5-methyl-6-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine.
What is the SMILES notation for 2-chloro-5-methyl-6-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine?
The canonical SMILES for 2-chloro-5-methyl-6-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine is C/C=C\C1=C(C)CN=C(Cl)N1.
What is the InChIKey of 2-chloro-5-methyl-6-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine?
The InChIKey is OYJVSRWWKRKWII-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-3-4-7-6(2)5-10-8(9)11-7/h3-4H,5H2,1-2H3,(H,10,11)/b4-3-.
What are the key properties of 2-chloro-5-methyl-6-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine?
2-chloro-5-methyl-6-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine has a molecular weight of 170.64 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-6-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine is sourced from PubChem (CID 163856048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).