5-chloro-2-methyl-4-(2-methylpropyl)-1,4-dihydropyrimidine

C9H15ClN2 — CID 134478721

IUPAC5-chloro-2-methyl-4-(2-methylpropyl)-1,4-dihydropyrimidine
SMILESCC1=NC(CC(C)C)C(Cl)=CN1
InChIInChI=1S/C9H15ClN2/c1-6(2)4-9-8(10)5-11-7(3)12-9/h5-6,9H,4H2,1-3H3,(H,11,12)
InChIKeyRUHXCOUELKFYHR-UHFFFAOYSA-N
MW186.69 g/mol
LogP2.50
Rot. Bonds2

About 5-chloro-2-methyl-4-(2-methylpropyl)-1,4-dihydropyrimidine

5-chloro-2-methyl-4-(2-methylpropyl)-1,4-dihydropyrimidine (PubChem CID 134478721) has the molecular formula C9H15ClN2 and a molecular weight of 186.69 g/mol. Its IUPAC name is 5-chloro-2-methyl-4-(2-methylpropyl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name5-chloro-2-methyl-4-(2-methylpropyl)-1,4-dihydropyrimidine
PubChem CID134478721
Molecular FormulaC9H15ClN2
Molecular Weight186.69 g/mol
Exact Mass186.09
IUPAC Name5-chloro-2-methyl-4-(2-methylpropyl)-1,4-dihydropyrimidine
SMILESCC1=NC(CC(C)C)C(Cl)=CN1
InChIInChI=1S/C9H15ClN2/c1-6(2)4-9-8(10)5-11-7(3)12-9/h5-6,9H,4H2,1-3H3,(H,11,12)
InChIKeyRUHXCOUELKFYHR-UHFFFAOYSA-N
XLogP2.50
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.69
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-5-(2-methylpropyl)-2,5-dihydro-1,2,4-oxadiazin-6-one
CID 13293993
(5R)-3-amino-5-(2-methylpropyl)-2,5-dihydro-1H-pyrazin-6-one
CID 130741711
(3R)-5-methyl-3-(2-methylpropyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-8-carboxylic acid
CID 137028464
(4R)-2-(3,5-dichlorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
CID 25010982
3-methyl-5-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 170928537
2-ethoxy-4-(2-methylpropyl)-4H-1,3-thiazol-5-one
CID 45093906
3-(4-chlorophenyl)-2-(2-methylpropyl)pyrrolidine
CID 62763269
(2R)-5-amino-3-hydroxy-2-(2-methylpropyl)-2H-pyrrole-4-carbonitrile
CID 136803676
5-chloro-2-(1-chloroethyl)-6-(2-methylpropyl)cyclohex-4-ene-1,3-dione
CID 162720992
7-hydroxy-1,5-dimethyl-3-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one
CID 10635098
1-(3,4-dichlorophenyl)-3-(2-methylpropyl)-1,4-diazepane
CID 64944342
3-chloro-6-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136926732

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-4-(2-methylpropyl)-1,4-dihydropyrimidine?
The IUPAC name of 5-chloro-2-methyl-4-(2-methylpropyl)-1,4-dihydropyrimidine (CID 134478721) is 5-chloro-2-methyl-4-(2-methylpropyl)-1,4-dihydropyrimidine.
What is the SMILES notation for 5-chloro-2-methyl-4-(2-methylpropyl)-1,4-dihydropyrimidine?
The canonical SMILES for 5-chloro-2-methyl-4-(2-methylpropyl)-1,4-dihydropyrimidine is CC1=NC(CC(C)C)C(Cl)=CN1.
What is the InChIKey of 5-chloro-2-methyl-4-(2-methylpropyl)-1,4-dihydropyrimidine?
The InChIKey is RUHXCOUELKFYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2/c1-6(2)4-9-8(10)5-11-7(3)12-9/h5-6,9H,4H2,1-3H3,(H,11,12).
What are the key properties of 5-chloro-2-methyl-4-(2-methylpropyl)-1,4-dihydropyrimidine?
5-chloro-2-methyl-4-(2-methylpropyl)-1,4-dihydropyrimidine has a molecular weight of 186.69 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-4-(2-methylpropyl)-1,4-dihydropyrimidine is sourced from PubChem (CID 134478721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).