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

C14H11Cl2N5O — CID 112906719

IUPAC4-N-(2,3-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nccc(Nc3cccc(Cl)c3Cl)n2)no1
InChIInChI=1S/C14H11Cl2N5O/c1-8-7-12(21-22-8)20-14-17-6-5-11(19-14)18-10-4-2-3-9(15)13(10)16/h2-7H,1H3,(H2,17,18,19,20,21)
InChIKeyYULHUOPHEOXQDS-UHFFFAOYSA-N
MW336.18 g/mol
LogP4.57
Rot. Bonds4

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

4-N-(2,3-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 112906719) has the molecular formula C14H11Cl2N5O and a molecular weight of 336.18 g/mol. Its IUPAC name is 4-N-(2,3-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
PubChem CID112906719
Molecular FormulaC14H11Cl2N5O
Molecular Weight336.18 g/mol
Exact Mass335.03
IUPAC Name4-N-(2,3-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nccc(Nc3cccc(Cl)c3Cl)n2)no1
InChIInChI=1S/C14H11Cl2N5O/c1-8-7-12(21-22-8)20-14-17-6-5-11(19-14)18-10-4-2-3-9(15)13(10)16/h2-7H,1H3,(H2,17,18,19,20,21)
InChIKeyYULHUOPHEOXQDS-UHFFFAOYSA-N
XLogP4.57
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112906657
2-N-(2,3-dichlorophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904571
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112906210
4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80754827
4-N-(2,3-dichlorophenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905254
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112902014
4-N-(2,3-dichlorophenyl)-2-N-pentylpyrimidine-2,4-diamine
CID 112900546
2-N-(2,3-dichlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyrimidine-2,4-diamine
CID 112906065
4-N-(2,3-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887254
2-N-[(4-chlorophenyl)methyl]-4-N-(2,3-dichlorophenyl)pyrimidine-2,4-diamine
CID 112892101
methyl 4-chloro-3-[[4-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]benzoate
CID 112906033
2-(2-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109316757

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,3-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine (CID 112906719) is 4-N-(2,3-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,3-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,3-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine is Cc1cc(Nc2nccc(Nc3cccc(Cl)c3Cl)n2)no1.
What is the InChIKey of 4-N-(2,3-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is YULHUOPHEOXQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5O/c1-8-7-12(21-22-8)20-14-17-6-5-11(19-14)18-10-4-2-3-9(15)13(10)16/h2-7H,1H3,(H2,17,18,19,20,21).
What are the key properties of 4-N-(2,3-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine?
4-N-(2,3-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 336.18 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112906719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).