(4R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethyloxane-4-carboxamide

C14H22N4O3 — CID 137108620

IUPAC(4R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethyloxane-4-carboxamide
SMILESCC1(C)C[C@H](C(=O)NCCc2nc(N)cc(=O)[nH]2)CCO1
InChIInChI=1S/C14H22N4O3/c1-14(2)8-9(4-6-21-14)13(20)16-5-3-11-17-10(15)7-12(19)18-11/h7,9H,3-6,8H2,1-2H3,(H,16,20)(H3,15,17,18,19)/t9-/m1/s1
InChIKeyRZEJREVWCGOCQU-SECBINFHSA-N
MW294.36 g/mol
LogP0.22
Rot. Bonds4

About (4R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethyloxane-4-carboxamide

(4R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethyloxane-4-carboxamide (PubChem CID 137108620) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is (4R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethyloxane-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethyloxane-4-carboxamide
PubChem CID137108620
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name(4R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethyloxane-4-carboxamide
SMILESCC1(C)C[C@H](C(=O)NCCc2nc(N)cc(=O)[nH]2)CCO1
InChIInChI=1S/C14H22N4O3/c1-14(2)8-9(4-6-21-14)13(20)16-5-3-11-17-10(15)7-12(19)18-11/h7,9H,3-6,8H2,1-2H3,(H,16,20)(H3,15,17,18,19)/t9-/m1/s1
InChIKeyRZEJREVWCGOCQU-SECBINFHSA-N
XLogP0.22
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (4R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethyloxane-4-carboxamide with MolForge

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Related Compounds

(4S)-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2,2-dimethyloxane-4-carboxamide
CID 125445372
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2,2-dimethyloxane-4-carboxamide;2,2,2-trifluoroacetic acid
CID 154885829
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 135876442
(4R)-2,2-dimethyl-N-(2-phenylethyl)oxane-4-carboxamide
CID 930235
2,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]oxane-4-carboxamide
CID 131921433
N-[2-(3-fluorophenyl)ethyl]-2,2-dimethyloxane-4-carboxamide
CID 74244914
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,6-dimethylpyridine-4-carboxamide
CID 137092384
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]spiro[2.5]octane-2-carboxamide
CID 136993210
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide
CID 137021866
(3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-ethyl-3-methylpiperidine-3-carboxamide
CID 136861426
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 137021874
4-amino-2-[2-(cycloheptylamino)ethyl]-1H-pyrimidin-6-one
CID 137222496

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethyloxane-4-carboxamide?
The IUPAC name of (4R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethyloxane-4-carboxamide (CID 137108620) is (4R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethyloxane-4-carboxamide.
What is the SMILES notation for (4R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethyloxane-4-carboxamide?
The canonical SMILES for (4R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethyloxane-4-carboxamide is CC1(C)C[C@H](C(=O)NCCc2nc(N)cc(=O)[nH]2)CCO1.
What is the InChIKey of (4R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethyloxane-4-carboxamide?
The InChIKey is RZEJREVWCGOCQU-SECBINFHSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-14(2)8-9(4-6-21-14)13(20)16-5-3-11-17-10(15)7-12(19)18-11/h7,9H,3-6,8H2,1-2H3,(H,16,20)(H3,15,17,18,19)/t9-/m1/s1.
What are the key properties of (4R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethyloxane-4-carboxamide?
(4R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethyloxane-4-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethyloxane-4-carboxamide is sourced from PubChem (CID 137108620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).