(4S)-4,6-dimethyl-1,4-dihydropyrimidine

C6H10N2 — CID 173181543

IUPAC(4S)-4,6-dimethyl-1,4-dihydropyrimidine
SMILESCC1=C[C@H](C)N=CN1
InChIInChI=1S/C6H10N2/c1-5-3-6(2)8-4-7-5/h3-5H,1-2H3,(H,7,8)/t5-/m0/s1
InChIKeyJEJQYKOWDLEMFB-YFKPBYRVSA-N
MW110.16 g/mol
LogP0.91
Rot. Bonds

About (4S)-4,6-dimethyl-1,4-dihydropyrimidine

(4S)-4,6-dimethyl-1,4-dihydropyrimidine (PubChem CID 173181543) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (4S)-4,6-dimethyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name(4S)-4,6-dimethyl-1,4-dihydropyrimidine
PubChem CID173181543
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(4S)-4,6-dimethyl-1,4-dihydropyrimidine
SMILESCC1=C[C@H](C)N=CN1
InChIInChI=1S/C6H10N2/c1-5-3-6(2)8-4-7-5/h3-5H,1-2H3,(H,7,8)/t5-/m0/s1
InChIKeyJEJQYKOWDLEMFB-YFKPBYRVSA-N
XLogP0.91
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4,6-dimethyl-1,4-dihydropyrimidine?
The IUPAC name of (4S)-4,6-dimethyl-1,4-dihydropyrimidine (CID 173181543) is (4S)-4,6-dimethyl-1,4-dihydropyrimidine.
What is the SMILES notation for (4S)-4,6-dimethyl-1,4-dihydropyrimidine?
The canonical SMILES for (4S)-4,6-dimethyl-1,4-dihydropyrimidine is CC1=C[C@H](C)N=CN1.
What is the InChIKey of (4S)-4,6-dimethyl-1,4-dihydropyrimidine?
The InChIKey is JEJQYKOWDLEMFB-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10N2/c1-5-3-6(2)8-4-7-5/h3-5H,1-2H3,(H,7,8)/t5-/m0/s1.
What are the key properties of (4S)-4,6-dimethyl-1,4-dihydropyrimidine?
(4S)-4,6-dimethyl-1,4-dihydropyrimidine has a molecular weight of 110.16 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,6-dimethyl-1,4-dihydropyrimidine is sourced from PubChem (CID 173181543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).