4-cyclopropyl-2-methylimino-1,3-dihydropyrimidin-4-amine

C8H14N4 — CID 152779065

IUPAC4-cyclopropyl-2-methylimino-1,3-dihydropyrimidin-4-amine
SMILESC/N=C1\NC=CC(N)(C2CC2)N1
InChIInChI=1S/C8H14N4/c1-10-7-11-5-4-8(9,12-7)6-2-3-6/h4-6H,2-3,9H2,1H3,(H2,10,11,12)
InChIKeyBZQBNCNLURGUAU-UHFFFAOYSA-N
MW166.23 g/mol
LogP-0.26
Rot. Bonds1

About 4-cyclopropyl-2-methylimino-1,3-dihydropyrimidin-4-amine

4-cyclopropyl-2-methylimino-1,3-dihydropyrimidin-4-amine (PubChem CID 152779065) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 4-cyclopropyl-2-methylimino-1,3-dihydropyrimidin-4-amine.

Molecular Properties

Compound Name4-cyclopropyl-2-methylimino-1,3-dihydropyrimidin-4-amine
PubChem CID152779065
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name4-cyclopropyl-2-methylimino-1,3-dihydropyrimidin-4-amine
SMILESC/N=C1\NC=CC(N)(C2CC2)N1
InChIInChI=1S/C8H14N4/c1-10-7-11-5-4-8(9,12-7)6-2-3-6/h4-6H,2-3,9H2,1H3,(H2,10,11,12)
InChIKeyBZQBNCNLURGUAU-UHFFFAOYSA-N
XLogP-0.26
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
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 4-cyclopropyl-2-methylimino-1,3-dihydropyrimidin-4-amine?
The IUPAC name of 4-cyclopropyl-2-methylimino-1,3-dihydropyrimidin-4-amine (CID 152779065) is 4-cyclopropyl-2-methylimino-1,3-dihydropyrimidin-4-amine.
What is the SMILES notation for 4-cyclopropyl-2-methylimino-1,3-dihydropyrimidin-4-amine?
The canonical SMILES for 4-cyclopropyl-2-methylimino-1,3-dihydropyrimidin-4-amine is C/N=C1\NC=CC(N)(C2CC2)N1.
What is the InChIKey of 4-cyclopropyl-2-methylimino-1,3-dihydropyrimidin-4-amine?
The InChIKey is BZQBNCNLURGUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-10-7-11-5-4-8(9,12-7)6-2-3-6/h4-6H,2-3,9H2,1H3,(H2,10,11,12).
What are the key properties of 4-cyclopropyl-2-methylimino-1,3-dihydropyrimidin-4-amine?
4-cyclopropyl-2-methylimino-1,3-dihydropyrimidin-4-amine has a molecular weight of 166.23 g/mol, XLogP of -0.26, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-methylimino-1,3-dihydropyrimidin-4-amine is sourced from PubChem (CID 152779065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).