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

C22H24N4 — CID 112932954

IUPAC2-N-benzyl-4-N-cyclopropyl-2-N-ethyl-6-phenylpyrimidine-2,4-diamine
SMILESCCN(Cc1ccccc1)c1nc(NC2CC2)cc(-c2ccccc2)n1
InChIInChI=1S/C22H24N4/c1-2-26(16-17-9-5-3-6-10-17)22-24-20(18-11-7-4-8-12-18)15-21(25-22)23-19-13-14-19/h3-12,15,19H,2,13-14,16H2,1H3,(H,23,24,25)
InChIKeyYIRSKOBNKKAXPM-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.74
Rot. Bonds7

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

2-N-benzyl-4-N-cyclopropyl-2-N-ethyl-6-phenylpyrimidine-2,4-diamine (PubChem CID 112932954) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-N-benzyl-4-N-cyclopropyl-2-N-ethyl-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-4-N-cyclopropyl-2-N-ethyl-6-phenylpyrimidine-2,4-diamine
PubChem CID112932954
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC Name2-N-benzyl-4-N-cyclopropyl-2-N-ethyl-6-phenylpyrimidine-2,4-diamine
SMILESCCN(Cc1ccccc1)c1nc(NC2CC2)cc(-c2ccccc2)n1
InChIInChI=1S/C22H24N4/c1-2-26(16-17-9-5-3-6-10-17)22-24-20(18-11-7-4-8-12-18)15-21(25-22)23-19-13-14-19/h3-12,15,19H,2,13-14,16H2,1H3,(H,23,24,25)
InChIKeyYIRSKOBNKKAXPM-UHFFFAOYSA-N
XLogP4.74
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-benzyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine
CID 112882242
2-N,2-N-diethyl-4-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 62192827
N,N-diethyl-4-hydrazinyl-6-phenylpyrimidin-2-amine
CID 62251410
2-N,2-N,4-N-triethyl-6-phenylpyrimidine-2,4-diamine
CID 63485028
N-benzyl-N-ethyl-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112934501
N-benzyl-N-ethyl-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935382
4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine
CID 117081020
2-N,2-N-diethyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937720
2-N-benzyl-4-N-(1,1-dioxothiolan-3-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 112893028
2-N-benzyl-4-N-butyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112933555
2-N-benzyl-4-N-cyclopentyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112909623
2-ethyl-6-phenyl-N-piperidin-4-ylpyrimidin-4-amine
CID 56767062

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-cyclopropyl-2-N-ethyl-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-4-N-cyclopropyl-2-N-ethyl-6-phenylpyrimidine-2,4-diamine (CID 112932954) is 2-N-benzyl-4-N-cyclopropyl-2-N-ethyl-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-4-N-cyclopropyl-2-N-ethyl-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-4-N-cyclopropyl-2-N-ethyl-6-phenylpyrimidine-2,4-diamine is CCN(Cc1ccccc1)c1nc(NC2CC2)cc(-c2ccccc2)n1.
What is the InChIKey of 2-N-benzyl-4-N-cyclopropyl-2-N-ethyl-6-phenylpyrimidine-2,4-diamine?
The InChIKey is YIRSKOBNKKAXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4/c1-2-26(16-17-9-5-3-6-10-17)22-24-20(18-11-7-4-8-12-18)15-21(25-22)23-19-13-14-19/h3-12,15,19H,2,13-14,16H2,1H3,(H,23,24,25).
What are the key properties of 2-N-benzyl-4-N-cyclopropyl-2-N-ethyl-6-phenylpyrimidine-2,4-diamine?
2-N-benzyl-4-N-cyclopropyl-2-N-ethyl-6-phenylpyrimidine-2,4-diamine has a molecular weight of 344.46 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-N-cyclopropyl-2-N-ethyl-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112932954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).