(6-ethoxypyridazin-3-yl)methyl N-(1-pyrimidin-2-ylethyl)carbamate

C14H17N5O3 — CID 166710004

IUPAC(6-ethoxypyridazin-3-yl)methyl N-(1-pyrimidin-2-ylethyl)carbamate
SMILESCCOc1ccc(COC(=O)NC(C)c2ncccn2)nn1
InChIInChI=1S/C14H17N5O3/c1-3-21-12-6-5-11(18-19-12)9-22-14(20)17-10(2)13-15-7-4-8-16-13/h4-8,10H,3,9H2,1-2H3,(H,17,20)
InChIKeyAPQNJEIZNCVHHX-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.65
Rot. Bonds6

About (6-ethoxypyridazin-3-yl)methyl N-(1-pyrimidin-2-ylethyl)carbamate

(6-ethoxypyridazin-3-yl)methyl N-(1-pyrimidin-2-ylethyl)carbamate (PubChem CID 166710004) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is (6-ethoxypyridazin-3-yl)methyl N-(1-pyrimidin-2-ylethyl)carbamate.

Molecular Properties

Compound Name(6-ethoxypyridazin-3-yl)methyl N-(1-pyrimidin-2-ylethyl)carbamate
PubChem CID166710004
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name(6-ethoxypyridazin-3-yl)methyl N-(1-pyrimidin-2-ylethyl)carbamate
SMILESCCOc1ccc(COC(=O)NC(C)c2ncccn2)nn1
InChIInChI=1S/C14H17N5O3/c1-3-21-12-6-5-11(18-19-12)9-22-14(20)17-10(2)13-15-7-4-8-16-13/h4-8,10H,3,9H2,1-2H3,(H,17,20)
InChIKeyAPQNJEIZNCVHHX-UHFFFAOYSA-N
XLogP1.65
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[6-(difluoromethyl)pyridazin-3-yl]methyl N-(1-pyrimidin-2-ylethyl)carbamate
CID 166710154
[5-(oxetan-3-yloxy)-2-pyridinyl]methyl N-(1-pyrimidin-2-ylethyl)carbamate
CID 166710032
(1R)-N-[(6-methoxypyridazin-3-yl)methyl]-1-pyrimidin-2-ylethanamine
CID 156830398
1-pyrimidin-2-ylethyl N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]carbamate
CID 166709951
(2S)-2-(pyridin-2-ylmethoxycarbonylamino)hexanoic acid
CID 54309144
2-hydroxyethyl N-[(1R)-1-pyridin-2-ylethyl]carbamate
CID 81406872
ethyl N-(dipyridin-2-ylmethyl)carbamate
CID 162768521
N-(2-amino-2-oxoethyl)-6-ethoxypyridazine-3-carboxamide
CID 90509671
methyl 2-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-1,3-thiazole-5-carboxylate
CID 86336679
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
ethyl N-[(1S)-1-(furan-2-yl)ethyl]carbamate
CID 81401192
ethyl N-[1-(furan-2-yl)ethyl]carbamate
CID 60660951

Frequently Asked Questions

What is the IUPAC name of (6-ethoxypyridazin-3-yl)methyl N-(1-pyrimidin-2-ylethyl)carbamate?
The IUPAC name of (6-ethoxypyridazin-3-yl)methyl N-(1-pyrimidin-2-ylethyl)carbamate (CID 166710004) is (6-ethoxypyridazin-3-yl)methyl N-(1-pyrimidin-2-ylethyl)carbamate.
What is the SMILES notation for (6-ethoxypyridazin-3-yl)methyl N-(1-pyrimidin-2-ylethyl)carbamate?
The canonical SMILES for (6-ethoxypyridazin-3-yl)methyl N-(1-pyrimidin-2-ylethyl)carbamate is CCOc1ccc(COC(=O)NC(C)c2ncccn2)nn1.
What is the InChIKey of (6-ethoxypyridazin-3-yl)methyl N-(1-pyrimidin-2-ylethyl)carbamate?
The InChIKey is APQNJEIZNCVHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-3-21-12-6-5-11(18-19-12)9-22-14(20)17-10(2)13-15-7-4-8-16-13/h4-8,10H,3,9H2,1-2H3,(H,17,20).
What are the key properties of (6-ethoxypyridazin-3-yl)methyl N-(1-pyrimidin-2-ylethyl)carbamate?
(6-ethoxypyridazin-3-yl)methyl N-(1-pyrimidin-2-ylethyl)carbamate has a molecular weight of 303.32 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxypyridazin-3-yl)methyl N-(1-pyrimidin-2-ylethyl)carbamate is sourced from PubChem (CID 166710004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).