1-[2-[[4-(dimethylamino)cyclohexyl]methoxy]phenyl]-3-pyrazin-2-ylurea

C20H27N5O2 — CID 58842154

IUPAC1-[2-[[4-(dimethylamino)cyclohexyl]methoxy]phenyl]-3-pyrazin-2-ylurea
SMILESCN(C)C1CCC(COc2ccccc2NC(=O)Nc2cnccn2)CC1
InChIInChI=1S/C20H27N5O2/c1-25(2)16-9-7-15(8-10-16)14-27-18-6-4-3-5-17(18)23-20(26)24-19-13-21-11-12-22-19/h3-6,11-13,15-16H,7-10,14H2,1-2H3,(H2,22,23,24,26)
InChIKeyNMOKADJVINRINX-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.62
Rot. Bonds6

About 1-[2-[[4-(dimethylamino)cyclohexyl]methoxy]phenyl]-3-pyrazin-2-ylurea

1-[2-[[4-(dimethylamino)cyclohexyl]methoxy]phenyl]-3-pyrazin-2-ylurea (PubChem CID 58842154) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[2-[[4-(dimethylamino)cyclohexyl]methoxy]phenyl]-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-[2-[[4-(dimethylamino)cyclohexyl]methoxy]phenyl]-3-pyrazin-2-ylurea
PubChem CID58842154
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name1-[2-[[4-(dimethylamino)cyclohexyl]methoxy]phenyl]-3-pyrazin-2-ylurea
SMILESCN(C)C1CCC(COc2ccccc2NC(=O)Nc2cnccn2)CC1
InChIInChI=1S/C20H27N5O2/c1-25(2)16-9-7-15(8-10-16)14-27-18-6-4-3-5-17(18)23-20(26)24-19-13-21-11-12-22-19/h3-6,11-13,15-16H,7-10,14H2,1-2H3,(H2,22,23,24,26)
InChIKeyNMOKADJVINRINX-UHFFFAOYSA-N
XLogP3.62
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[3-(dimethylamino)propoxy]phenyl]-3-pyrazin-2-ylurea
CID 58842168
1-(2-propan-2-yloxyphenyl)-3-pyrazin-2-ylurea
CID 110492341
1-[2-(3-aminopropoxy)phenyl]-3-pyrazin-2-ylurea
CID 10016910
N-[2-(cyclopropylmethoxy)phenyl]-2-(dimethylamino)acetamide
CID 91661447
1-(2-chlorophenyl)-3-pyrazin-2-ylurea
CID 5078272
2-(cyclopropylmethoxy)-N-pyrazin-2-ylacetamide
CID 86794489
N-[2-(cyclopropylmethoxy)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119799501
4-[[2-(cyclopropylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122085443
1-[2-(cyclopropylmethoxy)phenyl]-3-(1-hydroxypentan-3-yl)urea
CID 111453706
1-(2-ethoxyphenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 91624881
N-[2-(cyclopropylmethoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119799491
N-[2-(cyclopropylmethoxy)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide
CID 126772704

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(dimethylamino)cyclohexyl]methoxy]phenyl]-3-pyrazin-2-ylurea?
The IUPAC name of 1-[2-[[4-(dimethylamino)cyclohexyl]methoxy]phenyl]-3-pyrazin-2-ylurea (CID 58842154) is 1-[2-[[4-(dimethylamino)cyclohexyl]methoxy]phenyl]-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-[2-[[4-(dimethylamino)cyclohexyl]methoxy]phenyl]-3-pyrazin-2-ylurea?
The canonical SMILES for 1-[2-[[4-(dimethylamino)cyclohexyl]methoxy]phenyl]-3-pyrazin-2-ylurea is CN(C)C1CCC(COc2ccccc2NC(=O)Nc2cnccn2)CC1.
What is the InChIKey of 1-[2-[[4-(dimethylamino)cyclohexyl]methoxy]phenyl]-3-pyrazin-2-ylurea?
The InChIKey is NMOKADJVINRINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-25(2)16-9-7-15(8-10-16)14-27-18-6-4-3-5-17(18)23-20(26)24-19-13-21-11-12-22-19/h3-6,11-13,15-16H,7-10,14H2,1-2H3,(H2,22,23,24,26).
What are the key properties of 1-[2-[[4-(dimethylamino)cyclohexyl]methoxy]phenyl]-3-pyrazin-2-ylurea?
1-[2-[[4-(dimethylamino)cyclohexyl]methoxy]phenyl]-3-pyrazin-2-ylurea has a molecular weight of 369.47 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(dimethylamino)cyclohexyl]methoxy]phenyl]-3-pyrazin-2-ylurea is sourced from PubChem (CID 58842154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).