4,5-dimethyl-1,4-dihydropyrimidin-6-amine

C6H11N3 — CID 90453177

IUPAC4,5-dimethyl-1,4-dihydropyrimidin-6-amine
SMILESCC1=C(N)NC=NC1C
InChIInChI=1S/C6H11N3/c1-4-5(2)8-3-9-6(4)7/h3,5H,7H2,1-2H3,(H,8,9)
InChIKeyHRWUPSZLVDHORI-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.20
Rot. Bonds

About 4,5-dimethyl-1,4-dihydropyrimidin-6-amine

4,5-dimethyl-1,4-dihydropyrimidin-6-amine (PubChem CID 90453177) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 4,5-dimethyl-1,4-dihydropyrimidin-6-amine.

Molecular Properties

Compound Name4,5-dimethyl-1,4-dihydropyrimidin-6-amine
PubChem CID90453177
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name4,5-dimethyl-1,4-dihydropyrimidin-6-amine
SMILESCC1=C(N)NC=NC1C
InChIInChI=1S/C6H11N3/c1-4-5(2)8-3-9-6(4)7/h3,5H,7H2,1-2H3,(H,8,9)
InChIKeyHRWUPSZLVDHORI-UHFFFAOYSA-N
XLogP0.20
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,4-dihydropyrimidin-6-amine?
The IUPAC name of 4,5-dimethyl-1,4-dihydropyrimidin-6-amine (CID 90453177) is 4,5-dimethyl-1,4-dihydropyrimidin-6-amine.
What is the SMILES notation for 4,5-dimethyl-1,4-dihydropyrimidin-6-amine?
The canonical SMILES for 4,5-dimethyl-1,4-dihydropyrimidin-6-amine is CC1=C(N)NC=NC1C.
What is the InChIKey of 4,5-dimethyl-1,4-dihydropyrimidin-6-amine?
The InChIKey is HRWUPSZLVDHORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-4-5(2)8-3-9-6(4)7/h3,5H,7H2,1-2H3,(H,8,9).
What are the key properties of 4,5-dimethyl-1,4-dihydropyrimidin-6-amine?
4,5-dimethyl-1,4-dihydropyrimidin-6-amine has a molecular weight of 125.17 g/mol, XLogP of 0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,4-dihydropyrimidin-6-amine is sourced from PubChem (CID 90453177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).