4,6-dimethyl-1,4-dihydropyrimidin-2-amine

C6H11N3 — CID 147163824

IUPAC4,6-dimethyl-1,4-dihydropyrimidin-2-amine
SMILESCC1=CC(C)N=C(N)N1
InChIInChI=1S/C6H11N3/c1-4-3-5(2)9-6(7)8-4/h3-4H,1-2H3,(H3,7,8,9)
InChIKeyCTFVMUGMNVGMPK-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.20
Rot. Bonds

About 4,6-dimethyl-1,4-dihydropyrimidin-2-amine

4,6-dimethyl-1,4-dihydropyrimidin-2-amine (PubChem CID 147163824) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 4,6-dimethyl-1,4-dihydropyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-1,4-dihydropyrimidin-2-amine
PubChem CID147163824
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name4,6-dimethyl-1,4-dihydropyrimidin-2-amine
SMILESCC1=CC(C)N=C(N)N1
InChIInChI=1S/C6H11N3/c1-4-3-5(2)9-6(7)8-4/h3-4H,1-2H3,(H3,7,8,9)
InChIKeyCTFVMUGMNVGMPK-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 4,6-dimethyl-1,4-dihydropyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-1,4-dihydropyrimidin-2-amine (CID 147163824) is 4,6-dimethyl-1,4-dihydropyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-1,4-dihydropyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-1,4-dihydropyrimidin-2-amine is CC1=CC(C)N=C(N)N1.
What is the InChIKey of 4,6-dimethyl-1,4-dihydropyrimidin-2-amine?
The InChIKey is CTFVMUGMNVGMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-4-3-5(2)9-6(7)8-4/h3-4H,1-2H3,(H3,7,8,9).
What are the key properties of 4,6-dimethyl-1,4-dihydropyrimidin-2-amine?
4,6-dimethyl-1,4-dihydropyrimidin-2-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 4,6-dimethyl-1,4-dihydropyrimidin-2-amine is sourced from PubChem (CID 147163824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).