N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxane-4-carboxamide

C15H23N5O2 — CID 122299154

IUPACN-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxane-4-carboxamide
SMILESCN1CCN(c2ncc(NC(=O)C3CCOCC3)cn2)CC1
InChIInChI=1S/C15H23N5O2/c1-19-4-6-20(7-5-19)15-16-10-13(11-17-15)18-14(21)12-2-8-22-9-3-12/h10-12H,2-9H2,1H3,(H,18,21)
InChIKeyCDPBSFSEXOOPMY-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.59
Rot. Bonds3

About N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxane-4-carboxamide

N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxane-4-carboxamide (PubChem CID 122299154) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxane-4-carboxamide
PubChem CID122299154
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC NameN-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxane-4-carboxamide
SMILESCN1CCN(c2ncc(NC(=O)C3CCOCC3)cn2)CC1
InChIInChI=1S/C15H23N5O2/c1-19-4-6-20(7-5-19)15-16-10-13(11-17-15)18-14(21)12-2-8-22-9-3-12/h10-12H,2-9H2,1H3,(H,18,21)
InChIKeyCDPBSFSEXOOPMY-UHFFFAOYSA-N
XLogP0.59
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]cyclobutanecarboxamide
CID 122299328
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]oxane-4-carboxamide
CID 122300497
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]oxolane-3-carboxamide
CID 86850853
N-(6-piperidin-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 30179936
N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113029655
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 122299123
2-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide
CID 91967926
N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide
CID 113016001
N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]oxane-4-carboxamide
CID 113015664
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]oxane-4-carboxamide
CID 30971775
N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]oxolane-3-carboxamide
CID 122301072
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxane-4-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxane-4-carboxamide (CID 122299154) is N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxane-4-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxane-4-carboxamide is CN1CCN(c2ncc(NC(=O)C3CCOCC3)cn2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxane-4-carboxamide?
The InChIKey is CDPBSFSEXOOPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-19-4-6-20(7-5-19)15-16-10-13(11-17-15)18-14(21)12-2-8-22-9-3-12/h10-12H,2-9H2,1H3,(H,18,21).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxane-4-carboxamide?
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxane-4-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxane-4-carboxamide is sourced from PubChem (CID 122299154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).