5-methyl-6-propan-2-yl-4,5-dihydropyrimidine

C8H14N2 — CID 166106845

IUPAC5-methyl-6-propan-2-yl-4,5-dihydropyrimidine
SMILESCC(C)C1=NC=NCC1C
InChIInChI=1S/C8H14N2/c1-6(2)8-7(3)4-9-5-10-8/h5-7H,4H2,1-3H3
InChIKeyKRKNIDHRVHETAK-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.76
Rot. Bonds1

About 5-methyl-6-propan-2-yl-4,5-dihydropyrimidine

5-methyl-6-propan-2-yl-4,5-dihydropyrimidine (PubChem CID 166106845) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 5-methyl-6-propan-2-yl-4,5-dihydropyrimidine.

Molecular Properties

Compound Name5-methyl-6-propan-2-yl-4,5-dihydropyrimidine
PubChem CID166106845
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name5-methyl-6-propan-2-yl-4,5-dihydropyrimidine
SMILESCC(C)C1=NC=NCC1C
InChIInChI=1S/C8H14N2/c1-6(2)8-7(3)4-9-5-10-8/h5-7H,4H2,1-3H3
InChIKeyKRKNIDHRVHETAK-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

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6-butan-2-yl-5-methyl-4,5-dihydropyridazin-3-amine
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(1Z,4R,7S,10S)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene
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5-methyl-2-propan-2-yl-4,5-dihydropyrimidine
CID 138457030
(4R,7S,10R)-4,10-dimethyl-7-propan-2-ylcyclodecene-1-carbaldehyde
CID 91581522
4-methyl-1-(2-methylpropyl)cyclobutene
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(3S,4R)-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol
CID 145054727
5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyrrole
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-propan-2-yl-4,5-dihydropyrimidine?
The IUPAC name of 5-methyl-6-propan-2-yl-4,5-dihydropyrimidine (CID 166106845) is 5-methyl-6-propan-2-yl-4,5-dihydropyrimidine.
What is the SMILES notation for 5-methyl-6-propan-2-yl-4,5-dihydropyrimidine?
The canonical SMILES for 5-methyl-6-propan-2-yl-4,5-dihydropyrimidine is CC(C)C1=NC=NCC1C.
What is the InChIKey of 5-methyl-6-propan-2-yl-4,5-dihydropyrimidine?
The InChIKey is KRKNIDHRVHETAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-6(2)8-7(3)4-9-5-10-8/h5-7H,4H2,1-3H3.
What are the key properties of 5-methyl-6-propan-2-yl-4,5-dihydropyrimidine?
5-methyl-6-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-6-propan-2-yl-4,5-dihydropyrimidine is sourced from PubChem (CID 166106845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).