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

C13H14N4 — CID 117081020

IUPAC4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine
SMILESNc1nc(NC2CC2)cc(-c2ccccc2)n1
InChIInChI=1S/C13H14N4/c14-13-16-11(9-4-2-1-3-5-9)8-12(17-13)15-10-6-7-10/h1-5,8,10H,6-7H2,(H3,14,15,16,17)
InChIKeyIYMIIWUZFBDEMM-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.30
Rot. Bonds3

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

4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine (PubChem CID 117081020) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine
PubChem CID117081020
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine
SMILESNc1nc(NC2CC2)cc(-c2ccccc2)n1
InChIInChI=1S/C13H14N4/c14-13-16-11(9-4-2-1-3-5-9)8-12(17-13)15-10-6-7-10/h1-5,8,10H,6-7H2,(H3,14,15,16,17)
InChIKeyIYMIIWUZFBDEMM-UHFFFAOYSA-N
XLogP2.30
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Cyprodinil
CID 86367
Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
4-Phenylpyrimidine
CID 18923
2,4-Diaminoquinazoline
CID 65087
4,6-Diphenylpyrimidin-2-amine
CID 619024
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
2-Amino-4-phenylpyrimidine
CID 598777
4-Iodo-6-phenylpyrimidine
CID 817368
Importazole
CID 2949965
2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine (CID 117081020) is 4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine is Nc1nc(NC2CC2)cc(-c2ccccc2)n1.
What is the InChIKey of 4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine?
The InChIKey is IYMIIWUZFBDEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c14-13-16-11(9-4-2-1-3-5-9)8-12(17-13)15-10-6-7-10/h1-5,8,10H,6-7H2,(H3,14,15,16,17).
What are the key properties of 4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine?
4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine has a molecular weight of 226.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 117081020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).