1,3,4-trimethyl-2-methyliminopyrimidin-4-amine

C8H16N4 — CID 138501090

IUPAC1,3,4-trimethyl-2-methyliminopyrimidin-4-amine
SMILESC/N=C1\N(C)C=CC(C)(N)N1C
InChIInChI=1S/C8H16N4/c1-8(9)5-6-11(3)7(10-2)12(8)4/h5-6H,9H2,1-4H3/b10-7+
InChIKeyGNESZGJPVYFJJV-JXMROGBWSA-N
MW168.24 g/mol
LogP0.04
Rot. Bonds

About 1,3,4-trimethyl-2-methyliminopyrimidin-4-amine

1,3,4-trimethyl-2-methyliminopyrimidin-4-amine (PubChem CID 138501090) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1,3,4-trimethyl-2-methyliminopyrimidin-4-amine.

Molecular Properties

Compound Name1,3,4-trimethyl-2-methyliminopyrimidin-4-amine
PubChem CID138501090
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name1,3,4-trimethyl-2-methyliminopyrimidin-4-amine
SMILESC/N=C1\N(C)C=CC(C)(N)N1C
InChIInChI=1S/C8H16N4/c1-8(9)5-6-11(3)7(10-2)12(8)4/h5-6H,9H2,1-4H3/b10-7+
InChIKeyGNESZGJPVYFJJV-JXMROGBWSA-N
XLogP0.04
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-2-methyliminopyrimidin-4-amine?
The IUPAC name of 1,3,4-trimethyl-2-methyliminopyrimidin-4-amine (CID 138501090) is 1,3,4-trimethyl-2-methyliminopyrimidin-4-amine.
What is the SMILES notation for 1,3,4-trimethyl-2-methyliminopyrimidin-4-amine?
The canonical SMILES for 1,3,4-trimethyl-2-methyliminopyrimidin-4-amine is C/N=C1\N(C)C=CC(C)(N)N1C.
What is the InChIKey of 1,3,4-trimethyl-2-methyliminopyrimidin-4-amine?
The InChIKey is GNESZGJPVYFJJV-JXMROGBWSA-N. The full InChI is InChI=1S/C8H16N4/c1-8(9)5-6-11(3)7(10-2)12(8)4/h5-6H,9H2,1-4H3/b10-7+.
What are the key properties of 1,3,4-trimethyl-2-methyliminopyrimidin-4-amine?
1,3,4-trimethyl-2-methyliminopyrimidin-4-amine has a molecular weight of 168.24 g/mol, XLogP of 0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-2-methyliminopyrimidin-4-amine is sourced from PubChem (CID 138501090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).