4-N-cyclopentyl-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine

C19H21N5O — CID 112934408

IUPAC4-N-cyclopentyl-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(NC3CCCC3)cc(-c3ccccc3)n2)no1
InChIInChI=1S/C19H21N5O/c1-13-11-18(24-25-13)23-19-21-16(14-7-3-2-4-8-14)12-17(22-19)20-15-9-5-6-10-15/h2-4,7-8,11-12,15H,5-6,9-10H2,1H3,(H2,20,21,22,23,24)
InChIKeyUETAVYAVCHTVTD-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.54
Rot. Bonds5

About 4-N-cyclopentyl-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine

4-N-cyclopentyl-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine (PubChem CID 112934408) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-N-cyclopentyl-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
PubChem CID112934408
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name4-N-cyclopentyl-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(NC3CCCC3)cc(-c3ccccc3)n2)no1
InChIInChI=1S/C19H21N5O/c1-13-11-18(24-25-13)23-19-21-16(14-7-3-2-4-8-14)12-17(22-19)20-15-9-5-6-10-15/h2-4,7-8,11-12,15H,5-6,9-10H2,1H3,(H2,20,21,22,23,24)
InChIKeyUETAVYAVCHTVTD-UHFFFAOYSA-N
XLogP4.54
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2,4-dimethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112938152
2-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112938159
4-N-cyclopropyl-6-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112879570
4-N-(4-ethoxyphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112938237
N-[4-[[4-(cyclopentylamino)-6-phenylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112934396
4-N-(4-ethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112938166
2-N-(4-chlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112938199
4-[[4-(cyclopentylamino)-6-phenylpyrimidin-2-yl]amino]benzonitrile
CID 112934407
2-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112899999
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933893
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112936923
1-[4-[[4-(cyclopentylamino)-6-phenylpyrimidin-2-yl]amino]phenyl]cyclobutane-1-carbonitrile
CID 46182828

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopentyl-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine (CID 112934408) is 4-N-cyclopentyl-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopentyl-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopentyl-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine is Cc1cc(Nc2nc(NC3CCCC3)cc(-c3ccccc3)n2)no1.
What is the InChIKey of 4-N-cyclopentyl-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine?
The InChIKey is UETAVYAVCHTVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13-11-18(24-25-13)23-19-21-16(14-7-3-2-4-8-14)12-17(22-19)20-15-9-5-6-10-15/h2-4,7-8,11-12,15H,5-6,9-10H2,1H3,(H2,20,21,22,23,24).
What are the key properties of 4-N-cyclopentyl-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine?
4-N-cyclopentyl-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine has a molecular weight of 335.41 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112934408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).