N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C20H24N6O3 — CID 122357195

IUPACN-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCc1nc(N2CCN(C)CC2)nc(C)c1NC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C20H24N6O3/c1-13-18(14(2)22-19(21-13)25-10-8-24(3)9-11-25)23-17(27)12-26-15-6-4-5-7-16(15)29-20(26)28/h4-7H,8-12H2,1-3H3,(H,23,27)
InChIKeyVMYIBZVCJBHFJC-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.39
Rot. Bonds4

About N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 122357195) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID122357195
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC NameN-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCc1nc(N2CCN(C)CC2)nc(C)c1NC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C20H24N6O3/c1-13-18(14(2)22-19(21-13)25-10-8-24(3)9-11-25)23-17(27)12-26-15-6-4-5-7-16(15)29-20(26)28/h4-7H,8-12H2,1-3H3,(H,23,27)
InChIKeyVMYIBZVCJBHFJC-UHFFFAOYSA-N
XLogP1.39
TPSA96.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 155911469
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 122352825
3-[2-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 122332792
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-1-carboxamide
CID 122357164
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 122297365
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 1096304
N-(5-methyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 60519288
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 18886697
3-[2-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 122343474
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-2-carboxamide
CID 122357062
N-(3-acetamido-2-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 134019204
N-(3-hydroxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 18886705

Frequently Asked Questions

What is the IUPAC name of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 122357195) is N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is Cc1nc(N2CCN(C)CC2)nc(C)c1NC(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is VMYIBZVCJBHFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-13-18(14(2)22-19(21-13)25-10-8-24(3)9-11-25)23-17(27)12-26-15-6-4-5-7-16(15)29-20(26)28/h4-7H,8-12H2,1-3H3,(H,23,27).
What are the key properties of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 396.45 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 122357195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).