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

C17H17N5O — CID 112879570

IUPAC4-N-cyclopropyl-6-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
SMILESCc1cc(Nc2cc(NC3CC3)nc(-c3ccccc3)n2)no1
InChIInChI=1S/C17H17N5O/c1-11-9-16(22-23-11)19-15-10-14(18-13-7-8-13)20-17(21-15)12-5-3-2-4-6-12/h2-6,9-10,13H,7-8H2,1H3,(H2,18,19,20,21,22)
InChIKeyLVNGAFHCTYWDFU-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.76
Rot. Bonds5

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

4-N-cyclopropyl-6-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine (PubChem CID 112879570) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
PubChem CID112879570
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name4-N-cyclopropyl-6-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
SMILESCc1cc(Nc2cc(NC3CC3)nc(-c3ccccc3)n2)no1
InChIInChI=1S/C17H17N5O/c1-11-9-16(22-23-11)19-15-10-14(18-13-7-8-13)20-17(21-15)12-5-3-2-4-6-12/h2-6,9-10,13H,7-8H2,1H3,(H2,18,19,20,21,22)
InChIKeyLVNGAFHCTYWDFU-UHFFFAOYSA-N
XLogP3.76
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(4-methoxyphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112881709
4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112879528
5-methyl-N-(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)-1,2-oxazol-3-amine
CID 112880152
4-N-cyclopentyl-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112934408
6-N-(2-methoxyethyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112880373
6-N-[(2-chlorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112881275
4-N-cyclopropyl-6-N-(2-ethylphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112879514
4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112559826
6-N-[(2-methoxyphenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112881284
4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879169
6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine
CID 112559616
4-N-cyclopropyl-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpyrimidine-4,6-diamine
CID 112879556

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-6-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine (CID 112879570) is 4-N-cyclopropyl-6-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine is Cc1cc(Nc2cc(NC3CC3)nc(-c3ccccc3)n2)no1.
What is the InChIKey of 4-N-cyclopropyl-6-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine?
The InChIKey is LVNGAFHCTYWDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-11-9-16(22-23-11)19-15-10-14(18-13-7-8-13)20-17(21-15)12-5-3-2-4-6-12/h2-6,9-10,13H,7-8H2,1H3,(H2,18,19,20,21,22).
What are the key properties of 4-N-cyclopropyl-6-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine?
4-N-cyclopropyl-6-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine has a molecular weight of 307.36 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112879570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).