1-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

C20H25N5O — CID 55809342

IUPAC1-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESO=C(Nc1cccc2c1CCCC2)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C20H25N5O/c26-20(24-18-10-3-7-15-6-1-2-9-17(15)18)23-16-8-4-13-25(14-16)19-21-11-5-12-22-19/h3,5,7,10-12,16H,1-2,4,6,8-9,13-14H2,(H2,23,24,26)
InChIKeyKLVIBRMDTJILRJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.15
Rot. Bonds3

About 1-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

1-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (PubChem CID 55809342) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
PubChem CID55809342
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name1-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESO=C(Nc1cccc2c1CCCC2)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C20H25N5O/c26-20(24-18-10-3-7-15-6-1-2-9-17(15)18)23-16-8-4-13-25(14-16)19-21-11-5-12-22-19/h3,5,7,10-12,16H,1-2,4,6,8-9,13-14H2,(H2,23,24,26)
InChIKeyKLVIBRMDTJILRJ-UHFFFAOYSA-N
XLogP3.15
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]urea
CID 94030270
1-(5-chloro-2,4-dimethoxyphenyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 55809472
N-[4-fluoro-3-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]phenyl]propanamide
CID 97438128
1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 55809666
1-pyrazin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
CID 46597156
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 79024327
(2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 119857933
N-(2,3-dimethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221264
2-anilino-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 71939760
1-(4-methoxyphenyl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]cyclopropane-1-carboxamide
CID 95713073
3-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide;dihydrochloride
CID 120503187
4-acetyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-1,4-diazepane-1-carboxamide
CID 94031653

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (CID 55809342) is 1-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is O=C(Nc1cccc2c1CCCC2)NC1CCCN(c2ncccn2)C1.
What is the InChIKey of 1-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The InChIKey is KLVIBRMDTJILRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c26-20(24-18-10-3-7-15-6-1-2-9-17(15)18)23-16-8-4-13-25(14-16)19-21-11-5-12-22-19/h3,5,7,10-12,16H,1-2,4,6,8-9,13-14H2,(H2,23,24,26).
What are the key properties of 1-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
1-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea has a molecular weight of 351.45 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 55809342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).