1-ethyl-1-(oxolan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea

C17H27N5O2 — CID 53498159

IUPAC1-ethyl-1-(oxolan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
SMILESCCN(CC1CCOC1)C(=O)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C17H27N5O2/c1-2-21(11-14-6-10-24-13-14)17(23)20-15-5-3-9-22(12-15)16-18-7-4-8-19-16/h4,7-8,14-15H,2-3,5-6,9-13H2,1H3,(H,20,23)
InChIKeyHQVATAGJQYWHFO-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.51
Rot. Bonds5

About 1-ethyl-1-(oxolan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea

1-ethyl-1-(oxolan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea (PubChem CID 53498159) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-ethyl-1-(oxolan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea.

Molecular Properties

Compound Name1-ethyl-1-(oxolan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
PubChem CID53498159
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name1-ethyl-1-(oxolan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
SMILESCCN(CC1CCOC1)C(=O)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C17H27N5O2/c1-2-21(11-14-6-10-24-13-14)17(23)20-15-5-3-9-22(12-15)16-18-7-4-8-19-16/h4,7-8,14-15H,2-3,5-6,9-13H2,1H3,(H,20,23)
InChIKeyHQVATAGJQYWHFO-UHFFFAOYSA-N
XLogP1.51
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(pyrimidin-2-yl)piperidin-4-yl]acetamide
CID 47208637
N-(3-methoxypropyl)-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 651470
N-cyclohexyl-4-(2-pyrimidinyl)-1-piperazinecarboxamide
CID 2235451
(4S)-3-[2-[[(1S)-1-[1-(morpholine-4-carbonyl)piperidin-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479699
4-[(3R)-3-Aminopyrrolidin-1-yl]-N-(tetrahydro-2H-pyran-4-yl)pyrimidin-2-amine
CID 58227346
Ethyl 4-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]butanoate
CID 8196375
1-(1-Methoxypropan-2-yl)-1-methyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 45831205
N~2~-{[4-(dimethylamino)tetrahydro-2H-pyran-4-yl]methyl}-N~4~-ethylpyrimidine-2,4-diamine
CID 50980405
1-(Oxolan-2-ylmethyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea
CID 51081506
1-(Oxolan-3-ylmethyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea
CID 51082770
N-(oxolan-3-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 51084923
4-cyclopentyl-N-[2-(pyrimidin-2-ylamino)ethyl]piperazine-1-carboxamide
CID 53499344

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(oxolan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea?
The IUPAC name of 1-ethyl-1-(oxolan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea (CID 53498159) is 1-ethyl-1-(oxolan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea.
What is the SMILES notation for 1-ethyl-1-(oxolan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea?
The canonical SMILES for 1-ethyl-1-(oxolan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea is CCN(CC1CCOC1)C(=O)NC1CCCN(c2ncccn2)C1.
What is the InChIKey of 1-ethyl-1-(oxolan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea?
The InChIKey is HQVATAGJQYWHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-2-21(11-14-6-10-24-13-14)17(23)20-15-5-3-9-22(12-15)16-18-7-4-8-19-16/h4,7-8,14-15H,2-3,5-6,9-13H2,1H3,(H,20,23).
What are the key properties of 1-ethyl-1-(oxolan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea?
1-ethyl-1-(oxolan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea has a molecular weight of 333.44 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(oxolan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea is sourced from PubChem (CID 53498159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).