4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-propan-2-ylpyrimidin-2-amine

C20H21ClN4O — CID 16682188

IUPAC4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cc(-c2cc(-c3ccc(Cl)cc3)on2)nc(NCC2CC2)n1
InChIInChI=1S/C20H21ClN4O/c1-12(2)16-9-17(24-20(23-16)22-11-13-3-4-13)18-10-19(26-25-18)14-5-7-15(21)8-6-14/h5-10,12-13H,3-4,11H2,1-2H3,(H,22,23,24)
InChIKeyIKONBFRZFIVWDR-UHFFFAOYSA-N
MW368.87 g/mol
LogP5.40
Rot. Bonds6

About 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-propan-2-ylpyrimidin-2-amine

4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-propan-2-ylpyrimidin-2-amine (PubChem CID 16682188) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-propan-2-ylpyrimidin-2-amine
PubChem CID16682188
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cc(-c2cc(-c3ccc(Cl)cc3)on2)nc(NCC2CC2)n1
InChIInChI=1S/C20H21ClN4O/c1-12(2)16-9-17(24-20(23-16)22-11-13-3-4-13)18-10-19(26-25-18)14-5-7-15(21)8-6-14/h5-10,12-13H,3-4,11H2,1-2H3,(H,22,23,24)
InChIKeyIKONBFRZFIVWDR-UHFFFAOYSA-N
XLogP5.40
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.87
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 2745738
CID 2745738
CID 16682033
CID 16682033
CID 16682111
CID 16682111
CID 16682187
CID 16682187
CID 16682189
CID 16682189
CID 16682192
CID 16682192
CID 16682194
CID 16682194
CID 16745456
CID 16745456
CID 16745465
CID 16745465
CID 2745722
CID 2745722
CID 129165815
CID 129165815
CID 86269414
CID 86269414

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-propan-2-ylpyrimidin-2-amine (CID 16682188) is 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-propan-2-ylpyrimidin-2-amine is CC(C)c1cc(-c2cc(-c3ccc(Cl)cc3)on2)nc(NCC2CC2)n1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-propan-2-ylpyrimidin-2-amine?
The InChIKey is IKONBFRZFIVWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-12(2)16-9-17(24-20(23-16)22-11-13-3-4-13)18-10-19(26-25-18)14-5-7-15(21)8-6-14/h5-10,12-13H,3-4,11H2,1-2H3,(H,22,23,24).
What are the key properties of 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-propan-2-ylpyrimidin-2-amine?
4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-propan-2-ylpyrimidin-2-amine has a molecular weight of 368.87 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(cyclopropylmethyl)-6-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 16682188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).