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

C6H12N4 — CID 22380283

IUPAC1,2-dimethyl-2H-pyrimidine-4,5-diamine
SMILESCC1N=C(N)C(N)=CN1C
InChIInChI=1S/C6H12N4/c1-4-9-6(8)5(7)3-10(4)2/h3-4H,7H2,1-2H3,(H2,8,9)
InChIKeyJWSGTLPQXYMBPS-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.56
Rot. Bonds

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

1,2-dimethyl-2H-pyrimidine-4,5-diamine (PubChem CID 22380283) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 1,2-dimethyl-2H-pyrimidine-4,5-diamine.

Molecular Properties

Compound Name1,2-dimethyl-2H-pyrimidine-4,5-diamine
PubChem CID22380283
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name1,2-dimethyl-2H-pyrimidine-4,5-diamine
SMILESCC1N=C(N)C(N)=CN1C
InChIInChI=1S/C6H12N4/c1-4-9-6(8)5(7)3-10(4)2/h3-4H,7H2,1-2H3,(H2,8,9)
InChIKeyJWSGTLPQXYMBPS-UHFFFAOYSA-N
XLogP-0.56
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-2H-pyrimidine-4,5-diamine?
The IUPAC name of 1,2-dimethyl-2H-pyrimidine-4,5-diamine (CID 22380283) is 1,2-dimethyl-2H-pyrimidine-4,5-diamine.
What is the SMILES notation for 1,2-dimethyl-2H-pyrimidine-4,5-diamine?
The canonical SMILES for 1,2-dimethyl-2H-pyrimidine-4,5-diamine is CC1N=C(N)C(N)=CN1C.
What is the InChIKey of 1,2-dimethyl-2H-pyrimidine-4,5-diamine?
The InChIKey is JWSGTLPQXYMBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-4-9-6(8)5(7)3-10(4)2/h3-4H,7H2,1-2H3,(H2,8,9).
What are the key properties of 1,2-dimethyl-2H-pyrimidine-4,5-diamine?
1,2-dimethyl-2H-pyrimidine-4,5-diamine has a molecular weight of 140.19 g/mol, XLogP of -0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2H-pyrimidine-4,5-diamine is sourced from PubChem (CID 22380283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).