ethane;1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-[3-[methyl(pentyl)amino]propyl]urea

C17H33N5O2 — CID 143920293

IUPACethane;1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-[3-[methyl(pentyl)amino]propyl]urea
SMILESCC.CCCCCN(C)CCCNC(=O)Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C15H27N5O2.C2H6/c1-4-5-6-9-20(3)10-7-8-16-15(22)19-14-17-12(2)11-13(21)18-14;1-2/h11H,4-10H2,1-3H3,(H3,16,17,18,19,21,22);1-2H3
InChIKeyCXEWKSQNEFTVPY-UHFFFAOYSA-N
MW339.48 g/mol
LogP2.74
Rot. Bonds9

About ethane;1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-[3-[methyl(pentyl)amino]propyl]urea

ethane;1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-[3-[methyl(pentyl)amino]propyl]urea (PubChem CID 143920293) has the molecular formula C17H33N5O2 and a molecular weight of 339.48 g/mol. Its IUPAC name is ethane;1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-[3-[methyl(pentyl)amino]propyl]urea.

Molecular Properties

Compound Nameethane;1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-[3-[methyl(pentyl)amino]propyl]urea
PubChem CID143920293
Molecular FormulaC17H33N5O2
Molecular Weight339.48 g/mol
Exact Mass339.26
IUPAC Nameethane;1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-[3-[methyl(pentyl)amino]propyl]urea
SMILESCC.CCCCCN(C)CCCNC(=O)Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C15H27N5O2.C2H6/c1-4-5-6-9-20(3)10-7-8-16-15(22)19-14-17-12(2)11-13(21)18-14;1-2/h11H,4-10H2,1-3H3,(H3,16,17,18,19,21,22);1-2H3
InChIKeyCXEWKSQNEFTVPY-UHFFFAOYSA-N
XLogP2.74
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2(6-isocyanatohexylaminocarbonylamino)-6-methyl-4[1H]pyrimidinone
CID 135584193
2-(Dibutylamino)-6-methylpyrimidin-4(1H)-one
CID 135547801
2-azepan-1-yl-N-{2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]ethyl}acetamide
CID 136085481
2-Ethyl-1-(4-hydroxy-6-methyl-2-pyrimidinyl)isourea
CID 135679882
2-(4-aminopiperidin-1-yl)-6-methylpyrimidin-4(3H)-one dihydrochloride
CID 137017015
N-Butyl-N'-(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)urea
CID 135587710
2-Butylureido-6-methyl-4-pyrimidinone
CID 135708798
1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-[6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]urea
CID 135587708
1-[4-(dibutylamino)-6-oxo-1H-pyrimidin-2-yl]-3-dodecylurea
CID 136704301
1-butyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
CID 139249177
3,3,3-trifluoro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide
CID 136962389
N-cyclopentyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide
CID 136761451

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-[3-[methyl(pentyl)amino]propyl]urea?
The IUPAC name of ethane;1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-[3-[methyl(pentyl)amino]propyl]urea (CID 143920293) is ethane;1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-[3-[methyl(pentyl)amino]propyl]urea.
What is the SMILES notation for ethane;1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-[3-[methyl(pentyl)amino]propyl]urea?
The canonical SMILES for ethane;1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-[3-[methyl(pentyl)amino]propyl]urea is CC.CCCCCN(C)CCCNC(=O)Nc1nc(C)cc(=O)[nH]1.
What is the InChIKey of ethane;1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-[3-[methyl(pentyl)amino]propyl]urea?
The InChIKey is CXEWKSQNEFTVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2.C2H6/c1-4-5-6-9-20(3)10-7-8-16-15(22)19-14-17-12(2)11-13(21)18-14;1-2/h11H,4-10H2,1-3H3,(H3,16,17,18,19,21,22);1-2H3.
What are the key properties of ethane;1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-[3-[methyl(pentyl)amino]propyl]urea?
ethane;1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-[3-[methyl(pentyl)amino]propyl]urea has a molecular weight of 339.48 g/mol, XLogP of 2.74, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-[3-[methyl(pentyl)amino]propyl]urea is sourced from PubChem (CID 143920293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).