N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide

C14H22N4O4 — CID 137021866

IUPACN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide
SMILESNc1cc(=O)[nH]c(CCNC(=O)COCC2CCCCO2)n1
InChIInChI=1S/C14H22N4O4/c15-11-7-13(19)18-12(17-11)4-5-16-14(20)9-21-8-10-3-1-2-6-22-10/h7,10H,1-6,8-9H2,(H,16,20)(H3,15,17,18,19)
InChIKeyDUOHCIVGEHGFSD-UHFFFAOYSA-N
MW310.35 g/mol
LogP-0.40
Rot. Bonds7

About N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide

N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide (PubChem CID 137021866) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide
PubChem CID137021866
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC NameN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide
SMILESNc1cc(=O)[nH]c(CCNC(=O)COCC2CCCCO2)n1
InChIInChI=1S/C14H22N4O4/c15-11-7-13(19)18-12(17-11)4-5-16-14(20)9-21-8-10-3-1-2-6-22-10/h7,10H,1-6,8-9H2,(H,16,20)(H3,15,17,18,19)
InChIKeyDUOHCIVGEHGFSD-UHFFFAOYSA-N
XLogP-0.40
TPSA119.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(oxan-2-ylmethoxy)acetamide
CID 91842488
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide
CID 90650357
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 125175720
N-(2-imidazol-1-ylethyl)-2-(oxan-2-ylmethoxy)acetamide
CID 77082155
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 90649090
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide
CID 91790876
2-(oxan-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 86284175
2-[[(2S)-oxan-2-yl]methoxy]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 99972011
3-[[2-(oxolan-2-ylmethoxy)acetyl]amino]propanoic acid
CID 115729941
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide
CID 124758955
N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 43376615
N-[(5-methoxy-1H-indol-2-yl)methyl]-2-[[(2R)-oxan-2-yl]methoxy]acetamide
CID 124753443

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide?
The IUPAC name of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide (CID 137021866) is N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide.
What is the SMILES notation for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide?
The canonical SMILES for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide is Nc1cc(=O)[nH]c(CCNC(=O)COCC2CCCCO2)n1.
What is the InChIKey of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide?
The InChIKey is DUOHCIVGEHGFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4/c15-11-7-13(19)18-12(17-11)4-5-16-14(20)9-21-8-10-3-1-2-6-22-10/h7,10H,1-6,8-9H2,(H,16,20)(H3,15,17,18,19).
What are the key properties of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide?
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide has a molecular weight of 310.35 g/mol, XLogP of -0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide is sourced from PubChem (CID 137021866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).