6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine

C21H19N5O2 — CID 112932160

IUPAC6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(C)on2)nc(Nc2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C21H19N5O2/c1-14-12-19(24-20-13-15(2)28-26-20)25-21(22-14)23-17-10-6-7-11-18(17)27-16-8-4-3-5-9-16/h3-13H,1-2H3,(H2,22,23,24,25,26)
InChIKeySHNLRTZVFHUDSB-UHFFFAOYSA-N
MW373.42 g/mol
LogP5.36
Rot. Bonds6

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

6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112932160) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112932160
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(C)on2)nc(Nc2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C21H19N5O2/c1-14-12-19(24-20-13-15(2)28-26-20)25-21(22-14)23-17-10-6-7-11-18(17)27-16-8-4-3-5-9-16/h3-13H,1-2H3,(H2,22,23,24,25,26)
InChIKeySHNLRTZVFHUDSB-UHFFFAOYSA-N
XLogP5.36
TPSA85.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.42
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112932156
6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112931859
6-methyl-4-N-(2-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112926974
2-N-(2-ethylphenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112928662
4-N-cyclopentyl-6-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112909762
6-methyl-2-N-(2-phenoxyphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919228
2-N-(4-chloro-2-methylphenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112930079
6-methyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112926836
2-N-(4-chlorophenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112929887
6-N-(2-methoxyphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878329
4-N-(2,6-dichlorophenyl)-6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112932237
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-phenoxyphenyl)pyrazine-2-carboxamide
CID 109294525

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine (CID 112932160) is 6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine is Cc1cc(Nc2cc(C)on2)nc(Nc2ccccc2Oc2ccccc2)n1.
What is the InChIKey of 6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is SHNLRTZVFHUDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-14-12-19(24-20-13-15(2)28-26-20)25-21(22-14)23-17-10-6-7-11-18(17)27-16-8-4-3-5-9-16/h3-13H,1-2H3,(H2,22,23,24,25,26).
What are the key properties of 6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine?
6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 373.42 g/mol, XLogP of 5.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112932160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).