5-[(1R)-1-chloroethyl]-4-methylpyrimidine

C7H9ClN2 — CID 94587761

IUPAC5-[(1R)-1-chloroethyl]-4-methylpyrimidine
SMILESCc1ncncc1[C@@H](C)Cl
InChIInChI=1S/C7H9ClN2/c1-5(8)7-3-9-4-10-6(7)2/h3-5H,1-2H3/t5-/m1/s1
InChIKeyZMJJWLBRIWRDQJ-RXMQYKEDSA-N
MW156.62 g/mol
LogP2.08
Rot. Bonds1

About 5-[(1R)-1-chloroethyl]-4-methylpyrimidine

5-[(1R)-1-chloroethyl]-4-methylpyrimidine (PubChem CID 94587761) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is 5-[(1R)-1-chloroethyl]-4-methylpyrimidine.

Molecular Properties

Compound Name5-[(1R)-1-chloroethyl]-4-methylpyrimidine
PubChem CID94587761
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name5-[(1R)-1-chloroethyl]-4-methylpyrimidine
SMILESCc1ncncc1[C@@H](C)Cl
InChIInChI=1S/C7H9ClN2/c1-5(8)7-3-9-4-10-6(7)2/h3-5H,1-2H3/t5-/m1/s1
InChIKeyZMJJWLBRIWRDQJ-RXMQYKEDSA-N
XLogP2.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(difluoromethyl)-4-methylpyrimidine
CID 170225659
5-butan-2-yl-4-methylpyrimidine
CID 138494924
(2R)-2-amino-2-(4-methylpyrimidin-5-yl)ethanol
CID 96635522
4,5-dimethylpyrimidine;hydrochloride
CID 126810746
4-(1-chloroethyl)-5-fluoropyrimidine
CID 119085863
5-(1-chloro-2-methylpropyl)-4-(trifluoromethyl)pyrimidine
CID 22648742
2-cyclobutyl-1-(4-methylpyrimidin-5-yl)ethanol
CID 131000904
5-(1-chloroethyl)-4-methyl-2-(2-methylcyclopropyl)pyrimidine
CID 65419793
5-(1-chloroethyl)-4-methyl-2-pyridin-3-ylpyrimidine
CID 62771047
4-chloro-5-(3,3-dimethylbutan-2-yl)pyrimidine
CID 176739063
2-butyl-5-(1-chloroethyl)-4-methylpyrimidine
CID 79412493
5-(1-chloroethyl)-2-(3,5-dichlorophenyl)-4-methylpyrimidine
CID 114015741

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-chloroethyl]-4-methylpyrimidine?
The IUPAC name of 5-[(1R)-1-chloroethyl]-4-methylpyrimidine (CID 94587761) is 5-[(1R)-1-chloroethyl]-4-methylpyrimidine.
What is the SMILES notation for 5-[(1R)-1-chloroethyl]-4-methylpyrimidine?
The canonical SMILES for 5-[(1R)-1-chloroethyl]-4-methylpyrimidine is Cc1ncncc1[C@@H](C)Cl.
What is the InChIKey of 5-[(1R)-1-chloroethyl]-4-methylpyrimidine?
The InChIKey is ZMJJWLBRIWRDQJ-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H9ClN2/c1-5(8)7-3-9-4-10-6(7)2/h3-5H,1-2H3/t5-/m1/s1.
What are the key properties of 5-[(1R)-1-chloroethyl]-4-methylpyrimidine?
5-[(1R)-1-chloroethyl]-4-methylpyrimidine has a molecular weight of 156.62 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-chloroethyl]-4-methylpyrimidine is sourced from PubChem (CID 94587761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).