1,1,3-trimethyl-3-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]urea

C14H23N5O — CID 166606087

IUPAC1,1,3-trimethyl-3-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]urea
SMILESCc1ccnc(N2CCCC(N(C)C(=O)N(C)C)C2)n1
InChIInChI=1S/C14H23N5O/c1-11-7-8-15-13(16-11)19-9-5-6-12(10-19)18(4)14(20)17(2)3/h7-8,12H,5-6,9-10H2,1-4H3
InChIKeyOFWBUBIQSKKPHF-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.37
Rot. Bonds2

About 1,1,3-trimethyl-3-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]urea

1,1,3-trimethyl-3-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]urea (PubChem CID 166606087) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]urea.

Molecular Properties

Compound Name1,1,3-trimethyl-3-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]urea
PubChem CID166606087
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name1,1,3-trimethyl-3-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]urea
SMILESCc1ccnc(N2CCCC(N(C)C(=O)N(C)C)C2)n1
InChIInChI=1S/C14H23N5O/c1-11-7-8-15-13(16-11)19-9-5-6-12(10-19)18(4)14(20)17(2)3/h7-8,12H,5-6,9-10H2,1-4H3
InChIKeyOFWBUBIQSKKPHF-UHFFFAOYSA-N
XLogP1.37
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 166605206
N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-amine
CID 123144666
2-N,2-N,4-N-trimethyl-4-N-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 172899884
1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1,3,3-trimethylurea
CID 166603397
1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 171324316
4-methyl-2-(3-methylpiperidin-1-yl)pyrimidine
CID 89079553
2-[(3S)-3-fluoropiperidin-1-yl]-4-methylpyrimidine
CID 129349446
1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 166606133
ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine
CID 178079017
(3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452556
N,6-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyridine-2-carboxamide
CID 124981919
N-[(4S)-1-(4-methylpyrimidin-2-yl)azepan-4-yl]-N-(pyrimidin-5-ylmethyl)acetamide
CID 129336709

Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-3-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]urea?
The IUPAC name of 1,1,3-trimethyl-3-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]urea (CID 166606087) is 1,1,3-trimethyl-3-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]urea.
What is the SMILES notation for 1,1,3-trimethyl-3-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]urea?
The canonical SMILES for 1,1,3-trimethyl-3-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]urea is Cc1ccnc(N2CCCC(N(C)C(=O)N(C)C)C2)n1.
What is the InChIKey of 1,1,3-trimethyl-3-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]urea?
The InChIKey is OFWBUBIQSKKPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-11-7-8-15-13(16-11)19-9-5-6-12(10-19)18(4)14(20)17(2)3/h7-8,12H,5-6,9-10H2,1-4H3.
What are the key properties of 1,1,3-trimethyl-3-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]urea?
1,1,3-trimethyl-3-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]urea has a molecular weight of 277.37 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-3-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]urea is sourced from PubChem (CID 166606087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).