5-methyl-2-propan-2-yl-4,5-dihydropyrimidine

C8H14N2 — CID 138457030

IUPAC5-methyl-2-propan-2-yl-4,5-dihydropyrimidine
SMILESCC1C=NC(C(C)C)=NC1
InChIInChI=1S/C8H14N2/c1-6(2)8-9-4-7(3)5-10-8/h4,6-7H,5H2,1-3H3
InChIKeyGHALPGJLXUMUJA-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.76
Rot. Bonds1

About 5-methyl-2-propan-2-yl-4,5-dihydropyrimidine

5-methyl-2-propan-2-yl-4,5-dihydropyrimidine (PubChem CID 138457030) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-4,5-dihydropyrimidine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-4,5-dihydropyrimidine
PubChem CID138457030
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name5-methyl-2-propan-2-yl-4,5-dihydropyrimidine
SMILESCC1C=NC(C(C)C)=NC1
InChIInChI=1S/C8H14N2/c1-6(2)8-9-4-7(3)5-10-8/h4,6-7H,5H2,1-3H3
InChIKeyGHALPGJLXUMUJA-UHFFFAOYSA-N
XLogP1.76
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-4H-imidazole
CID 58671593
2-(disulfanyl)-5-methyl-4,5-dihydropyrimidine
CID 90818653
1-(3-methyl-3,4-dihydropyridin-6-yl)ethanamine
CID 91119270
(3R)-3,6-dimethyl-3,4-dihydropyridine
CID 89130617
(4R)-4-methyl-4,5-dihydropyridazine
CID 172589325
6-(chloromethyl)-3-methyl-2,3-dihydropyridine
CID 91208172
5-methyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 15503981
3-methyl-6-phenyl-2,3-dihydropyridine
CID 142097039
5-methyl-4,5-dihydrotriazine
CID 123713272
6-chloro-4,11,12-trimethyl-2,8-diazabicyclo[5.5.0]dodeca-1(12),2,6,8-tetraene
CID 123770228
5-methyl-6-propan-2-yl-4,5-dihydropyrimidine
CID 166106845
3-chloro-1-methyl-2-propan-2-ylcyclohexa-1,3-diene
CID 153352774

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-4,5-dihydropyrimidine?
The IUPAC name of 5-methyl-2-propan-2-yl-4,5-dihydropyrimidine (CID 138457030) is 5-methyl-2-propan-2-yl-4,5-dihydropyrimidine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-4,5-dihydropyrimidine?
The canonical SMILES for 5-methyl-2-propan-2-yl-4,5-dihydropyrimidine is CC1C=NC(C(C)C)=NC1.
What is the InChIKey of 5-methyl-2-propan-2-yl-4,5-dihydropyrimidine?
The InChIKey is GHALPGJLXUMUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-6(2)8-9-4-7(3)5-10-8/h4,6-7H,5H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yl-4,5-dihydropyrimidine?
5-methyl-2-propan-2-yl-4,5-dihydropyrimidine has a molecular weight of 138.21 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-4,5-dihydropyrimidine is sourced from PubChem (CID 138457030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).