N-[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine

C19H21FN6O — CID 112874812

IUPACN-[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1nc(Nc2cc(C)on2)cc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C19H21FN6O/c1-13-11-18(24-27-13)23-17-12-19(22-14(2)21-17)26-9-7-25(8-10-26)16-5-3-15(20)4-6-16/h3-6,11-12H,7-10H2,1-2H3,(H,21,22,23,24)
InChIKeyWBCXHBREMSWMBZ-UHFFFAOYSA-N
MW368.42 g/mol
LogP3.29
Rot. Bonds4

About N-[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine

N-[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine (PubChem CID 112874812) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is N-[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
PubChem CID112874812
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC NameN-[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1nc(Nc2cc(C)on2)cc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C19H21FN6O/c1-13-11-18(24-27-13)23-17-12-19(22-14(2)21-17)26-9-7-25(8-10-26)16-5-3-15(20)4-6-16/h3-6,11-12H,7-10H2,1-2H3,(H,21,22,23,24)
InChIKeyWBCXHBREMSWMBZ-UHFFFAOYSA-N
XLogP3.29
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dimethylphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine
CID 112874788
2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine
CID 112878930
4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine
CID 163344141
4-N-(2,6-difluorophenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112879163
2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868556
2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine
CID 112870787
5-methyl-N-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-1,2-oxazol-3-amine
CID 112955521
5-methyl-N-(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)-1,2-oxazol-3-amine
CID 112880152
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine
CID 46219448
N-(2,4-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868570
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109237631
N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
CID 112877336

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of N-[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine (CID 112874812) is N-[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for N-[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for N-[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine is Cc1nc(Nc2cc(C)on2)cc(N2CCN(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of N-[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine?
The InChIKey is WBCXHBREMSWMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O/c1-13-11-18(24-27-13)23-17-12-19(22-14(2)21-17)26-9-7-25(8-10-26)16-5-3-15(20)4-6-16/h3-6,11-12H,7-10H2,1-2H3,(H,21,22,23,24).
What are the key properties of N-[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine?
N-[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine has a molecular weight of 368.42 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 112874812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).