4,5-dimethyl-1H-pyrimidine-2,4-diamine

C6H12N4 — CID 154332826

IUPAC4,5-dimethyl-1H-pyrimidine-2,4-diamine
SMILESCC1=CNC(N)=NC1(C)N
InChIInChI=1S/C6H12N4/c1-4-3-9-5(7)10-6(4,2)8/h3H,8H2,1-2H3,(H3,7,9,10)
InChIKeyXBPYCFXOPXMOGL-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.52
Rot. Bonds

About 4,5-dimethyl-1H-pyrimidine-2,4-diamine

4,5-dimethyl-1H-pyrimidine-2,4-diamine (PubChem CID 154332826) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 4,5-dimethyl-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4,5-dimethyl-1H-pyrimidine-2,4-diamine
PubChem CID154332826
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name4,5-dimethyl-1H-pyrimidine-2,4-diamine
SMILESCC1=CNC(N)=NC1(C)N
InChIInChI=1S/C6H12N4/c1-4-3-9-5(7)10-6(4,2)8/h3H,8H2,1-2H3,(H3,7,9,10)
InChIKeyXBPYCFXOPXMOGL-UHFFFAOYSA-N
XLogP-0.52
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-Dimethyl-1,4-dihydropyrimidine
CID 57275033
4-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 154168925
4-ethyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 154281463
N-fluoro-4,5-dimethyl-1,4-dihydropyrimidin-2-amine
CID 166164318
4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine
CID 171648861
5-Ethyl-1,4-dihydropyrimidine
CID 57274878
(5-Ethyl-1,4-dihydropyrimidin-2-yl)-methanidylazanium
CID 58832406
4-ethyl-1H-pyrimidine-2,4-diamine
CID 67413305
5-Methyl-1,4-dihydropyrimidin-2-amine
CID 68310657
4-methyl-1H-pyrimidine-2,4-diamine
CID 68412964
2,4,5-Trimethyl-1,4-dihydropyrimidine
CID 89164495
5-Ethyl-1,4-dihydropyrimidin-2-amine
CID 89374650

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4,5-dimethyl-1H-pyrimidine-2,4-diamine (CID 154332826) is 4,5-dimethyl-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4,5-dimethyl-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4,5-dimethyl-1H-pyrimidine-2,4-diamine is CC1=CNC(N)=NC1(C)N.
What is the InChIKey of 4,5-dimethyl-1H-pyrimidine-2,4-diamine?
The InChIKey is XBPYCFXOPXMOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-4-3-9-5(7)10-6(4,2)8/h3H,8H2,1-2H3,(H3,7,9,10).
What are the key properties of 4,5-dimethyl-1H-pyrimidine-2,4-diamine?
4,5-dimethyl-1H-pyrimidine-2,4-diamine has a molecular weight of 140.19 g/mol, XLogP of -0.52, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 154332826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).