1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea

C15H25N5O3 — CID 171324316

IUPAC1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea
SMILESCOc1cc(OC)nc(N2CCCC(N(C)C(=O)N(C)C)C2)n1
InChIInChI=1S/C15H25N5O3/c1-18(2)15(21)19(3)11-7-6-8-20(10-11)14-16-12(22-4)9-13(17-14)23-5/h9,11H,6-8,10H2,1-5H3
InChIKeyYUIIPWQBBJVPKT-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.08
Rot. Bonds4

About 1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea

1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea (PubChem CID 171324316) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea
PubChem CID171324316
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Name1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea
SMILESCOc1cc(OC)nc(N2CCCC(N(C)C(=O)N(C)C)C2)n1
InChIInChI=1S/C15H25N5O3/c1-18(2)15(21)19(3)11-7-6-8-20(10-11)14-16-12(22-4)9-13(17-14)23-5/h9,11H,6-8,10H2,1-5H3
InChIKeyYUIIPWQBBJVPKT-UHFFFAOYSA-N
XLogP1.08
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,1,3-trimethyl-3-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]urea
CID 166606087
1-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 166605206
2-[3-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine
CID 172880777
1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 115354736
1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 166606133
1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 112634329
1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 118114934
1-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-1,3,3-trimethylurea
CID 166601948
N-[1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]-N-methylcyclopropanecarboxamide
CID 166605954
4-[3-(dimethylamino)piperidin-1-yl]-6-methoxypyrimidin-2-amine
CID 45184702
3-[(4-chloro-3-methylphenyl)methyl]-1-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-1-methylurea
CID 165119491
(3R)-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-amine
CID 136582876

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea?
The IUPAC name of 1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea (CID 171324316) is 1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea.
What is the SMILES notation for 1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea?
The canonical SMILES for 1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea is COc1cc(OC)nc(N2CCCC(N(C)C(=O)N(C)C)C2)n1.
What is the InChIKey of 1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea?
The InChIKey is YUIIPWQBBJVPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-18(2)15(21)19(3)11-7-6-8-20(10-11)14-16-12(22-4)9-13(17-14)23-5/h9,11H,6-8,10H2,1-5H3.
What are the key properties of 1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea?
1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea has a molecular weight of 323.40 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea is sourced from PubChem (CID 171324316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).