(4S,5R)-4,5-dimethyl-4,5-dihydropyrimidine

C6H10N2 — CID 59584704

IUPAC(4S,5R)-4,5-dimethyl-4,5-dihydropyrimidine
SMILESC[C@@H]1N=CN=C[C@@H]1C
InChIInChI=1S/C6H10N2/c1-5-3-7-4-8-6(5)2/h3-6H,1-2H3/t5-,6-/m0/s1
InChIKeyRWRVGIDHYRIHIY-WDSKDSINSA-N
MW110.16 g/mol
LogP1.12
Rot. Bonds

About (4S,5R)-4,5-dimethyl-4,5-dihydropyrimidine

(4S,5R)-4,5-dimethyl-4,5-dihydropyrimidine (PubChem CID 59584704) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (4S,5R)-4,5-dimethyl-4,5-dihydropyrimidine.

Molecular Properties

Compound Name(4S,5R)-4,5-dimethyl-4,5-dihydropyrimidine
PubChem CID59584704
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(4S,5R)-4,5-dimethyl-4,5-dihydropyrimidine
SMILESC[C@@H]1N=CN=C[C@@H]1C
InChIInChI=1S/C6H10N2/c1-5-3-7-4-8-6(5)2/h3-6H,1-2H3/t5-,6-/m0/s1
InChIKeyRWRVGIDHYRIHIY-WDSKDSINSA-N
XLogP1.12
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Fluoro-4-methyl-4,5-dihydropyrimidin-3-ium
CID 174194555
2,5-Di(propan-2-yl)-2,5-dihydropyrazine
CID 139215265
4,5-Dimethyl-4,5-dihydropyrimidine
CID 21336455
N-(2-methylpropylidene)-N'-propan-2-ylmethanimidamide
CID 22985703
4-Methyl-4,5-dihydropyrimidine
CID 23392097
2,4-Dimethyl-4,5-dihydropyrimidine
CID 53434157
4-propan-2-yl-4H-imidazole
CID 57667177
(4R,5S)-4,5-dimethyl-4,5-dihydropyrimidine
CID 58230852
4-tert-butyl-4H-imidazole
CID 58738294
2,4,5-Trimethyl-4,5-dihydropyrimidine
CID 59701015
(5S)-4,5-dimethyl-4,5-dihydropyrimidine
CID 67991622
5-Methyl-4,5-dihydropyrimidin-2-amine
CID 68062518

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4,5-dimethyl-4,5-dihydropyrimidine?
The IUPAC name of (4S,5R)-4,5-dimethyl-4,5-dihydropyrimidine (CID 59584704) is (4S,5R)-4,5-dimethyl-4,5-dihydropyrimidine.
What is the SMILES notation for (4S,5R)-4,5-dimethyl-4,5-dihydropyrimidine?
The canonical SMILES for (4S,5R)-4,5-dimethyl-4,5-dihydropyrimidine is C[C@@H]1N=CN=C[C@@H]1C.
What is the InChIKey of (4S,5R)-4,5-dimethyl-4,5-dihydropyrimidine?
The InChIKey is RWRVGIDHYRIHIY-WDSKDSINSA-N. The full InChI is InChI=1S/C6H10N2/c1-5-3-7-4-8-6(5)2/h3-6H,1-2H3/t5-,6-/m0/s1.
What are the key properties of (4S,5R)-4,5-dimethyl-4,5-dihydropyrimidine?
(4S,5R)-4,5-dimethyl-4,5-dihydropyrimidine has a molecular weight of 110.16 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4,5-dimethyl-4,5-dihydropyrimidine is sourced from PubChem (CID 59584704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).