N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-methoxypyrimidine-2-carboxamide

C11H15N3O4 — CID 164640711

IUPACN-[[(2S)-1,4-dioxan-2-yl]methyl]-5-methoxypyrimidine-2-carboxamide
SMILESCOc1cnc(C(=O)NC[C@H]2COCCO2)nc1
InChIInChI=1S/C11H15N3O4/c1-16-8-4-12-10(13-5-8)11(15)14-6-9-7-17-2-3-18-9/h4-5,9H,2-3,6-7H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyFNLKYLJQBZFBKU-VIFPVBQESA-N
MW253.26 g/mol
LogP-0.37
Rot. Bonds4

About N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-methoxypyrimidine-2-carboxamide

N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-methoxypyrimidine-2-carboxamide (PubChem CID 164640711) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-methoxypyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-1,4-dioxan-2-yl]methyl]-5-methoxypyrimidine-2-carboxamide
PubChem CID164640711
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN-[[(2S)-1,4-dioxan-2-yl]methyl]-5-methoxypyrimidine-2-carboxamide
SMILESCOc1cnc(C(=O)NC[C@H]2COCCO2)nc1
InChIInChI=1S/C11H15N3O4/c1-16-8-4-12-10(13-5-8)11(15)14-6-9-7-17-2-3-18-9/h4-5,9H,2-3,6-7H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyFNLKYLJQBZFBKU-VIFPVBQESA-N
XLogP-0.37
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2R)-1,4-dioxan-2-yl]methyl]-2H-triazole-4-carboxamide
CID 97054054
6-chloro-N-(1,4-dioxan-2-ylmethyl)pyridine-3-carboxamide
CID 54908916
N-(1,4-dioxan-2-ylmethyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374710
1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(4-methoxyphenyl)phenyl]urea
CID 125178084
N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 95164050
5-amino-N-(1,4-dioxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62160317
N-(1,4-dioxan-2-ylmethyl)-3,4-dihydroxybenzamide
CID 113358419
N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62181314
methyl 3-(cyclobutylmethoxy)-5-(1,4-dioxan-2-ylmethylcarbamoyl)benzoate
CID 70733252
N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide
CID 54908963
N-[[(2R)-1,4-dioxan-2-yl]methyl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 125164960
3-[6-(1,4-dioxan-2-ylmethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 76978753

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-methoxypyrimidine-2-carboxamide?
The IUPAC name of N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-methoxypyrimidine-2-carboxamide (CID 164640711) is N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-methoxypyrimidine-2-carboxamide.
What is the SMILES notation for N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-methoxypyrimidine-2-carboxamide?
The canonical SMILES for N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-methoxypyrimidine-2-carboxamide is COc1cnc(C(=O)NC[C@H]2COCCO2)nc1.
What is the InChIKey of N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-methoxypyrimidine-2-carboxamide?
The InChIKey is FNLKYLJQBZFBKU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N3O4/c1-16-8-4-12-10(13-5-8)11(15)14-6-9-7-17-2-3-18-9/h4-5,9H,2-3,6-7H2,1H3,(H,14,15)/t9-/m0/s1.
What are the key properties of N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-methoxypyrimidine-2-carboxamide?
N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-methoxypyrimidine-2-carboxamide has a molecular weight of 253.26 g/mol, XLogP of -0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-methoxypyrimidine-2-carboxamide is sourced from PubChem (CID 164640711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).