1-(2,2-dimethyloxan-4-yl)-3-(6-methyl-2-pyridinyl)urea

C14H21N3O2 — CID 75507988

IUPAC1-(2,2-dimethyloxan-4-yl)-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)NC2CCOC(C)(C)C2)n1
InChIInChI=1S/C14H21N3O2/c1-10-5-4-6-12(15-10)17-13(18)16-11-7-8-19-14(2,3)9-11/h4-6,11H,7-9H2,1-3H3,(H2,15,16,17,18)
InChIKeyJZABMZNSVNZBDM-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.47
Rot. Bonds2

About 1-(2,2-dimethyloxan-4-yl)-3-(6-methyl-2-pyridinyl)urea

1-(2,2-dimethyloxan-4-yl)-3-(6-methyl-2-pyridinyl)urea (PubChem CID 75507988) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(2,2-dimethyloxan-4-yl)-3-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(2,2-dimethyloxan-4-yl)-3-(6-methyl-2-pyridinyl)urea
PubChem CID75507988
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(2,2-dimethyloxan-4-yl)-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)NC2CCOC(C)(C)C2)n1
InChIInChI=1S/C14H21N3O2/c1-10-5-4-6-12(15-10)17-13(18)16-11-7-8-19-14(2,3)9-11/h4-6,11H,7-9H2,1-3H3,(H2,15,16,17,18)
InChIKeyJZABMZNSVNZBDM-UHFFFAOYSA-N
XLogP2.47
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-Methylpyridin-2-yl)-3-propyl-urea
CID 6469265
2-(3-Ethylureido)-6-methylpyridine
CID 126618
1-(4-Methoxy-4-methylpentan-2-yl)-3-pyridin-2-ylurea
CID 75423119
1-(1-Oxaspiro[5.5]undecan-4-yl)-3-[2-(pyridin-2-ylamino)ethyl]urea
CID 86770965
1-[4-[6-(Oxan-4-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95825652
1-Cyclohexyl-3-(4,6-dimethylpyridin-2-yl)urea
CID 896735
1-Cyclohexyl-3-(6-methylpyridin-2-yl)urea
CID 4745135
tert-butyl N-[6-(1-aminoethyl)pyridin-2-yl]carbamate
CID 165943362
Tert-butyl 4-[6-(ethylamino)-2-pyridinyl]piperidine-1-carboxylate
CID 16214970
1-Butyl-3-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]urea
CID 54922728
1-(2-Methoxyethyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea
CID 75484739
1-(3-Methoxypropyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea
CID 75484741

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyloxan-4-yl)-3-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(2,2-dimethyloxan-4-yl)-3-(6-methyl-2-pyridinyl)urea (CID 75507988) is 1-(2,2-dimethyloxan-4-yl)-3-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(2,2-dimethyloxan-4-yl)-3-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(2,2-dimethyloxan-4-yl)-3-(6-methyl-2-pyridinyl)urea is Cc1cccc(NC(=O)NC2CCOC(C)(C)C2)n1.
What is the InChIKey of 1-(2,2-dimethyloxan-4-yl)-3-(6-methyl-2-pyridinyl)urea?
The InChIKey is JZABMZNSVNZBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-5-4-6-12(15-10)17-13(18)16-11-7-8-19-14(2,3)9-11/h4-6,11H,7-9H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 1-(2,2-dimethyloxan-4-yl)-3-(6-methyl-2-pyridinyl)urea?
1-(2,2-dimethyloxan-4-yl)-3-(6-methyl-2-pyridinyl)urea has a molecular weight of 263.34 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyloxan-4-yl)-3-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 75507988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).