4-amino-N-pyrimidin-2-yloxane-4-carboxamide

C10H14N4O2 — CID 115293590

IUPAC4-amino-N-pyrimidin-2-yloxane-4-carboxamide
SMILESNC1(C(=O)Nc2ncccn2)CCOCC1
InChIInChI=1S/C10H14N4O2/c11-10(2-6-16-7-3-10)8(15)14-9-12-4-1-5-13-9/h1,4-5H,2-3,6-7,11H2,(H,12,13,14,15)
InChIKeySCLGBJLNFNLBQR-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.08
Rot. Bonds2

About 4-amino-N-pyrimidin-2-yloxane-4-carboxamide

4-amino-N-pyrimidin-2-yloxane-4-carboxamide (PubChem CID 115293590) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-amino-N-pyrimidin-2-yloxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-pyrimidin-2-yloxane-4-carboxamide
PubChem CID115293590
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name4-amino-N-pyrimidin-2-yloxane-4-carboxamide
SMILESNC1(C(=O)Nc2ncccn2)CCOCC1
InChIInChI=1S/C10H14N4O2/c11-10(2-6-16-7-3-10)8(15)14-9-12-4-1-5-13-9/h1,4-5H,2-3,6-7,11H2,(H,12,13,14,15)
InChIKeySCLGBJLNFNLBQR-UHFFFAOYSA-N
XLogP-0.08
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2-chloro-3-pyridinyl)oxane-4-carboxamide
CID 113280621
3-amino-N-(1,2,4-triazin-3-yl)oxolane-3-carboxamide
CID 114387755
4-amino-N-(2-ethoxy-3-pyridinyl)oxane-4-carboxamide
CID 115293923
4-amino-N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 113280565
3-amino-N-(2-methoxy-3-pyridinyl)oxolane-3-carboxamide
CID 64891921
5-[(4-aminooxane-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 115295266
4-amino-N-(4-methylphenyl)oxane-4-carboxamide
CID 113280557
4-amino-N-(2,3-dichlorophenyl)oxane-4-carboxamide
CID 115293616
4-amino-N-(2-sulfamoylphenyl)oxane-4-carboxamide
CID 115294474
4-amino-N-[2-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 115293483
4-amino-N-(2-cyanophenyl)oxane-4-carboxamide
CID 113280537
3-amino-N-(2-ethoxy-3-pyridinyl)oxolane-3-carboxamide
CID 64893957

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-pyrimidin-2-yloxane-4-carboxamide?
The IUPAC name of 4-amino-N-pyrimidin-2-yloxane-4-carboxamide (CID 115293590) is 4-amino-N-pyrimidin-2-yloxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-pyrimidin-2-yloxane-4-carboxamide?
The canonical SMILES for 4-amino-N-pyrimidin-2-yloxane-4-carboxamide is NC1(C(=O)Nc2ncccn2)CCOCC1.
What is the InChIKey of 4-amino-N-pyrimidin-2-yloxane-4-carboxamide?
The InChIKey is SCLGBJLNFNLBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c11-10(2-6-16-7-3-10)8(15)14-9-12-4-1-5-13-9/h1,4-5H,2-3,6-7,11H2,(H,12,13,14,15).
What are the key properties of 4-amino-N-pyrimidin-2-yloxane-4-carboxamide?
4-amino-N-pyrimidin-2-yloxane-4-carboxamide has a molecular weight of 222.25 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-pyrimidin-2-yloxane-4-carboxamide is sourced from PubChem (CID 115293590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).