4-methyl-1H-pyrimidine-4,5-diamine

C5H10N4 — CID 67872043

IUPAC4-methyl-1H-pyrimidine-4,5-diamine
SMILESCC1(N)N=CNC=C1N
InChIInChI=1S/C5H10N4/c1-5(7)4(6)2-8-3-9-5/h2-3H,6-7H2,1H3,(H,8,9)
InChIKeyTYSXHTLUQWITPV-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.91
Rot. Bonds

About 4-methyl-1H-pyrimidine-4,5-diamine

4-methyl-1H-pyrimidine-4,5-diamine (PubChem CID 67872043) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 4-methyl-1H-pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-methyl-1H-pyrimidine-4,5-diamine
PubChem CID67872043
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name4-methyl-1H-pyrimidine-4,5-diamine
SMILESCC1(N)N=CNC=C1N
InChIInChI=1S/C5H10N4/c1-5(7)4(6)2-8-3-9-5/h2-3H,6-7H2,1H3,(H,8,9)
InChIKeyTYSXHTLUQWITPV-UHFFFAOYSA-N
XLogP-0.91
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1H-pyrimidine-4,5-diamine?
The IUPAC name of 4-methyl-1H-pyrimidine-4,5-diamine (CID 67872043) is 4-methyl-1H-pyrimidine-4,5-diamine.
What is the SMILES notation for 4-methyl-1H-pyrimidine-4,5-diamine?
The canonical SMILES for 4-methyl-1H-pyrimidine-4,5-diamine is CC1(N)N=CNC=C1N.
What is the InChIKey of 4-methyl-1H-pyrimidine-4,5-diamine?
The InChIKey is TYSXHTLUQWITPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-5(7)4(6)2-8-3-9-5/h2-3H,6-7H2,1H3,(H,8,9).
What are the key properties of 4-methyl-1H-pyrimidine-4,5-diamine?
4-methyl-1H-pyrimidine-4,5-diamine has a molecular weight of 126.16 g/mol, XLogP of -0.91, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1H-pyrimidine-4,5-diamine is sourced from PubChem (CID 67872043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).