N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide

C20H26N6O3 — CID 110246009

IUPACN-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCC(=O)N1CCN(c2cc(CCNC(=O)c3ocnc3C)nc(C3CC3)n2)CC1
InChIInChI=1S/C20H26N6O3/c1-13-18(29-12-22-13)20(28)21-6-5-16-11-17(24-19(23-16)15-3-4-15)26-9-7-25(8-10-26)14(2)27/h11-12,15H,3-10H2,1-2H3,(H,21,28)
InChIKeyPFUCLPUTVNKSBP-UHFFFAOYSA-N
MW398.47 g/mol
LogP1.29
Rot. Bonds6

About N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide

N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 110246009) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID110246009
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC NameN-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCC(=O)N1CCN(c2cc(CCNC(=O)c3ocnc3C)nc(C3CC3)n2)CC1
InChIInChI=1S/C20H26N6O3/c1-13-18(29-12-22-13)20(28)21-6-5-16-11-17(24-19(23-16)15-3-4-15)26-9-7-25(8-10-26)14(2)27/h11-12,15H,3-10H2,1-2H3,(H,21,28)
InChIKeyPFUCLPUTVNKSBP-UHFFFAOYSA-N
XLogP1.29
TPSA104.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide (CID 110246009) is N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide is CC(=O)N1CCN(c2cc(CCNC(=O)c3ocnc3C)nc(C3CC3)n2)CC1.
What is the InChIKey of N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is PFUCLPUTVNKSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-13-18(29-12-22-13)20(28)21-6-5-16-11-17(24-19(23-16)15-3-4-15)26-9-7-25(8-10-26)14(2)27/h11-12,15H,3-10H2,1-2H3,(H,21,28).
What are the key properties of N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide?
N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 110246009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).