1-methyl-3-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-1-propan-2-ylurea

C15H25N5O2 — CID 136559696

IUPAC1-methyl-3-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-1-propan-2-ylurea
SMILESCc1cc(=O)[nH]c(N2CCCC(NC(=O)N(C)C(C)C)C2)n1
InChIInChI=1S/C15H25N5O2/c1-10(2)19(4)15(22)17-12-6-5-7-20(9-12)14-16-11(3)8-13(21)18-14/h8,10,12H,5-7,9H2,1-4H3,(H,17,22)(H,16,18,21)
InChIKeyIJWXKLIBHOBLJC-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.10
Rot. Bonds3

About 1-methyl-3-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-1-propan-2-ylurea

1-methyl-3-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-1-propan-2-ylurea (PubChem CID 136559696) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-methyl-3-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-1-propan-2-ylurea.

Molecular Properties

Compound Name1-methyl-3-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-1-propan-2-ylurea
PubChem CID136559696
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name1-methyl-3-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-1-propan-2-ylurea
SMILESCc1cc(=O)[nH]c(N2CCCC(NC(=O)N(C)C(C)C)C2)n1
InChIInChI=1S/C15H25N5O2/c1-10(2)19(4)15(22)17-12-6-5-7-20(9-12)14-16-11(3)8-13(21)18-14/h8,10,12H,5-7,9H2,1-4H3,(H,17,22)(H,16,18,21)
InChIKeyIJWXKLIBHOBLJC-UHFFFAOYSA-N
XLogP1.10
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methyl-2-(piperidin-1-yl)pyrimidin-4-ol
CID 135406154
2(6-isocyanatohexylaminocarbonylamino)-6-methyl-4[1H]pyrimidinone
CID 135584193
8-methyl-1H,2H,3H,4H,6H-pyrimido[1,2-a][1,3]diazin-6-one
CID 136303942
1,3-Dimethyl-6-[[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 56796823
1,3-Dimethyl-6-[[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 56821553
2-(4-Hydroxy-6-trifluoromethyl-pyrimidin-2-ylamino)-1-piperidin-1-yl-ethanone
CID 136048721
2-azepan-1-yl-N-{2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]ethyl}acetamide
CID 136085481
N-Butyl-N'-(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)urea
CID 135587710
2-(4-aminopiperidin-1-yl)-6-methylpyrimidin-4(3H)-one dihydrochloride
CID 137017015
6-Methyl-2-(piperazin-1-yl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 137153517
2-(3-Aminopiperidin-1-yl)-6-methyl-3,4-dihydropyrimidin-4-one dihydrochloride
CID 137154967
N-cyclopentyl-2-(4-methyl-2-morpholino-6-oxopyrimidin-1(6H)-yl)acetamide
CID 49667359

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-1-propan-2-ylurea?
The IUPAC name of 1-methyl-3-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-1-propan-2-ylurea (CID 136559696) is 1-methyl-3-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-1-propan-2-ylurea.
What is the SMILES notation for 1-methyl-3-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-1-propan-2-ylurea?
The canonical SMILES for 1-methyl-3-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-1-propan-2-ylurea is Cc1cc(=O)[nH]c(N2CCCC(NC(=O)N(C)C(C)C)C2)n1.
What is the InChIKey of 1-methyl-3-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-1-propan-2-ylurea?
The InChIKey is IJWXKLIBHOBLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-10(2)19(4)15(22)17-12-6-5-7-20(9-12)14-16-11(3)8-13(21)18-14/h8,10,12H,5-7,9H2,1-4H3,(H,17,22)(H,16,18,21).
What are the key properties of 1-methyl-3-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-1-propan-2-ylurea?
1-methyl-3-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-1-propan-2-ylurea has a molecular weight of 307.40 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-1-propan-2-ylurea is sourced from PubChem (CID 136559696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).