2-imino-1-methylpyrimidine-4,5-diamine

C5H9N5 — CID 45087797

IUPAC2-imino-1-methylpyrimidine-4,5-diamine
SMILES[H]/N=c1\nc(N)c(N)cn1C
InChIInChI=1S/C5H9N5/c1-10-2-3(6)4(7)9-5(10)8/h2H,6H2,1H3,(H3,7,8,9)
InChIKeyGMQAJSKAUSSKOU-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.94
Rot. Bonds

About 2-imino-1-methylpyrimidine-4,5-diamine

2-imino-1-methylpyrimidine-4,5-diamine (PubChem CID 45087797) has the molecular formula C5H9N5 and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-imino-1-methylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-imino-1-methylpyrimidine-4,5-diamine
PubChem CID45087797
Molecular FormulaC5H9N5
Molecular Weight139.16 g/mol
Exact Mass139.09
IUPAC Name2-imino-1-methylpyrimidine-4,5-diamine
SMILES[H]/N=c1\nc(N)c(N)cn1C
InChIInChI=1S/C5H9N5/c1-10-2-3(6)4(7)9-5(10)8/h2H,6H2,1H3,(H3,7,8,9)
InChIKeyGMQAJSKAUSSKOU-UHFFFAOYSA-N
XLogP-0.94
TPSA93.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-imino-1-methylpyrimidine-4,5-diamine?
The IUPAC name of 2-imino-1-methylpyrimidine-4,5-diamine (CID 45087797) is 2-imino-1-methylpyrimidine-4,5-diamine.
What is the SMILES notation for 2-imino-1-methylpyrimidine-4,5-diamine?
The canonical SMILES for 2-imino-1-methylpyrimidine-4,5-diamine is [H]/N=c1\nc(N)c(N)cn1C.
What is the InChIKey of 2-imino-1-methylpyrimidine-4,5-diamine?
The InChIKey is GMQAJSKAUSSKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5/c1-10-2-3(6)4(7)9-5(10)8/h2H,6H2,1H3,(H3,7,8,9).
What are the key properties of 2-imino-1-methylpyrimidine-4,5-diamine?
2-imino-1-methylpyrimidine-4,5-diamine has a molecular weight of 139.16 g/mol, XLogP of -0.94, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-1-methylpyrimidine-4,5-diamine is sourced from PubChem (CID 45087797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).