6-N,5-dimethyl-4-N-(2-phenylcyclopropyl)pyrimidine-4,6-diamine

C15H18N4 — CID 80814280

IUPAC6-N,5-dimethyl-4-N-(2-phenylcyclopropyl)pyrimidine-4,6-diamine
SMILESCNc1ncnc(NC2CC2c2ccccc2)c1C
InChIInChI=1S/C15H18N4/c1-10-14(16-2)17-9-18-15(10)19-13-8-12(13)11-6-4-3-5-7-11/h3-7,9,12-13H,8H2,1-2H3,(H2,16,17,18,19)
InChIKeyKHHMHVZHIOHALW-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.79
Rot. Bonds4

About 6-N,5-dimethyl-4-N-(2-phenylcyclopropyl)pyrimidine-4,6-diamine

6-N,5-dimethyl-4-N-(2-phenylcyclopropyl)pyrimidine-4,6-diamine (PubChem CID 80814280) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 6-N,5-dimethyl-4-N-(2-phenylcyclopropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-dimethyl-4-N-(2-phenylcyclopropyl)pyrimidine-4,6-diamine
PubChem CID80814280
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name6-N,5-dimethyl-4-N-(2-phenylcyclopropyl)pyrimidine-4,6-diamine
SMILESCNc1ncnc(NC2CC2c2ccccc2)c1C
InChIInChI=1S/C15H18N4/c1-10-14(16-2)17-9-18-15(10)19-13-8-12(13)11-6-4-3-5-7-11/h3-7,9,12-13H,8H2,1-2H3,(H2,16,17,18,19)
InChIKeyKHHMHVZHIOHALW-UHFFFAOYSA-N
XLogP2.79
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N,5-dimethyl-4-N-(2-phenylcyclopropyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-dimethyl-4-N-(2-phenylcyclopropyl)pyrimidine-4,6-diamine (CID 80814280) is 6-N,5-dimethyl-4-N-(2-phenylcyclopropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-dimethyl-4-N-(2-phenylcyclopropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-dimethyl-4-N-(2-phenylcyclopropyl)pyrimidine-4,6-diamine is CNc1ncnc(NC2CC2c2ccccc2)c1C.
What is the InChIKey of 6-N,5-dimethyl-4-N-(2-phenylcyclopropyl)pyrimidine-4,6-diamine?
The InChIKey is KHHMHVZHIOHALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-10-14(16-2)17-9-18-15(10)19-13-8-12(13)11-6-4-3-5-7-11/h3-7,9,12-13H,8H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 6-N,5-dimethyl-4-N-(2-phenylcyclopropyl)pyrimidine-4,6-diamine?
6-N,5-dimethyl-4-N-(2-phenylcyclopropyl)pyrimidine-4,6-diamine has a molecular weight of 254.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-dimethyl-4-N-(2-phenylcyclopropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80814280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).