6-N-methyl-1,4-dihydropyrimidine-5,6-diamine

C5H10N4 — CID 170101546

IUPAC6-N-methyl-1,4-dihydropyrimidine-5,6-diamine
SMILESCNC1=C(N)CN=CN1
InChIInChI=1S/C5H10N4/c1-7-5-4(6)2-8-3-9-5/h3,7H,2,6H2,1H3,(H,8,9)
InChIKeyYMVBUUVRCJFZQD-UHFFFAOYSA-N
MW126.16 g/mol
LogP-1.03
Rot. Bonds1

About 6-N-methyl-1,4-dihydropyrimidine-5,6-diamine

6-N-methyl-1,4-dihydropyrimidine-5,6-diamine (PubChem CID 170101546) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 6-N-methyl-1,4-dihydropyrimidine-5,6-diamine.

Molecular Properties

Compound Name6-N-methyl-1,4-dihydropyrimidine-5,6-diamine
PubChem CID170101546
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name6-N-methyl-1,4-dihydropyrimidine-5,6-diamine
SMILESCNC1=C(N)CN=CN1
InChIInChI=1S/C5H10N4/c1-7-5-4(6)2-8-3-9-5/h3,7H,2,6H2,1H3,(H,8,9)
InChIKeyYMVBUUVRCJFZQD-UHFFFAOYSA-N
XLogP-1.03
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-1,4-dihydropyrimidine-5,6-diamine?
The IUPAC name of 6-N-methyl-1,4-dihydropyrimidine-5,6-diamine (CID 170101546) is 6-N-methyl-1,4-dihydropyrimidine-5,6-diamine.
What is the SMILES notation for 6-N-methyl-1,4-dihydropyrimidine-5,6-diamine?
The canonical SMILES for 6-N-methyl-1,4-dihydropyrimidine-5,6-diamine is CNC1=C(N)CN=CN1.
What is the InChIKey of 6-N-methyl-1,4-dihydropyrimidine-5,6-diamine?
The InChIKey is YMVBUUVRCJFZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-7-5-4(6)2-8-3-9-5/h3,7H,2,6H2,1H3,(H,8,9).
What are the key properties of 6-N-methyl-1,4-dihydropyrimidine-5,6-diamine?
6-N-methyl-1,4-dihydropyrimidine-5,6-diamine has a molecular weight of 126.16 g/mol, XLogP of -1.03, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-1,4-dihydropyrimidine-5,6-diamine is sourced from PubChem (CID 170101546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).