4-N-cyclopropyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine

C15H18N4 — CID 112559797

IUPAC4-N-cyclopropyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)C2CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H18N4/c1-16-13-10-14(19(2)12-8-9-12)18-15(17-13)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,16,17,18)
InChIKeyQANOOLIDARLGLD-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.78
Rot. Bonds4

About 4-N-cyclopropyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine

4-N-cyclopropyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine (PubChem CID 112559797) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine
PubChem CID112559797
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-N-cyclopropyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)C2CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H18N4/c1-16-13-10-14(19(2)12-8-9-12)18-15(17-13)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,16,17,18)
InChIKeyQANOOLIDARLGLD-UHFFFAOYSA-N
XLogP2.78
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine (CID 112559797) is 4-N-cyclopropyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine is CNc1cc(N(C)C2CC2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N-cyclopropyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine?
The InChIKey is QANOOLIDARLGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-16-13-10-14(19(2)12-8-9-12)18-15(17-13)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of 4-N-cyclopropyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine?
4-N-cyclopropyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine has a molecular weight of 254.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112559797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).