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

C18H21N5O — CID 112933893

IUPAC4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(-c3ccccc3)nc(NCC(C)C)n2)no1
InChIInChI=1S/C18H21N5O/c1-12(2)11-19-18-20-15(14-7-5-4-6-8-14)10-16(22-18)21-17-9-13(3)24-23-17/h4-10,12H,11H2,1-3H3,(H2,19,20,21,22,23)
InChIKeySDZGFZQNGMMEQW-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.25
Rot. Bonds6

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

4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine (PubChem CID 112933893) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
PubChem CID112933893
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(-c3ccccc3)nc(NCC(C)C)n2)no1
InChIInChI=1S/C18H21N5O/c1-12(2)11-19-18-20-15(14-7-5-4-6-8-14)10-16(22-18)21-17-9-13(3)24-23-17/h4-10,12H,11H2,1-3H3,(H2,19,20,21,22,23)
InChIKeySDZGFZQNGMMEQW-UHFFFAOYSA-N
XLogP4.25
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112936923
2-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112938159
2-N-(4-chlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112938199
4-N-cyclopropyl-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112932921
4-N-(2-methylpropyl)-2-N,6-diphenylpyrimidine-2,4-diamine
CID 112933760
4-N-(4-ethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112938166
4-N-(2,4-dimethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112938152
4-N-(4-ethoxyphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112938237
4-N-cyclopentyl-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112934408
2-N-(furan-2-ylmethyl)-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933719
4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933832
5-methyl-N-(2-methylpropyl)-1,2-oxazol-3-amine
CID 59569080

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine (CID 112933893) is 4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine is Cc1cc(Nc2cc(-c3ccccc3)nc(NCC(C)C)n2)no1.
What is the InChIKey of 4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine?
The InChIKey is SDZGFZQNGMMEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12(2)11-19-18-20-15(14-7-5-4-6-8-14)10-16(22-18)21-17-9-13(3)24-23-17/h4-10,12H,11H2,1-3H3,(H2,19,20,21,22,23).
What are the key properties of 4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine?
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine has a molecular weight of 323.40 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112933893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).