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

C15H25N5O — CID 166603398

IUPAC1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1,3,3-trimethylurea
SMILESCCc1cc(N2CCC(N(C)C(=O)N(C)C)CC2)ncn1
InChIInChI=1S/C15H25N5O/c1-5-12-10-14(17-11-16-12)20-8-6-13(7-9-20)19(4)15(21)18(2)3/h10-11,13H,5-9H2,1-4H3
InChIKeyBWGKPNUOMLNNMJ-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.62
Rot. Bonds3

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

1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1,3,3-trimethylurea (PubChem CID 166603398) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1,3,3-trimethylurea
PubChem CID166603398
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1,3,3-trimethylurea
SMILESCCc1cc(N2CCC(N(C)C(=O)N(C)C)CC2)ncn1
InChIInChI=1S/C15H25N5O/c1-5-12-10-14(17-11-16-12)20-8-6-13(7-9-20)19(4)15(21)18(2)3/h10-11,13H,5-9H2,1-4H3
InChIKeyBWGKPNUOMLNNMJ-UHFFFAOYSA-N
XLogP1.62
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(chloromethyl)piperidin-1-yl]-6-ethylpyrimidine
CID 63390468
N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 62593889
N-methyl-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 133305493
1,1,3-trimethyl-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 166603322
1-[4-[4-(6-ethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 91785161
tert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate
CID 86690166
4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide
CID 119897919
1,1,3-trimethyl-3-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]urea
CID 166603310
4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide;dihydrochloride
CID 119897918
4-(4-bromo-3-methylpiperidin-1-yl)-6-ethylpyrimidine
CID 114682855
7-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]heptanamide
CID 119897857
N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62591241

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1,3,3-trimethylurea?
The IUPAC name of 1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1,3,3-trimethylurea (CID 166603398) is 1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1,3,3-trimethylurea.
What is the SMILES notation for 1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1,3,3-trimethylurea?
The canonical SMILES for 1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1,3,3-trimethylurea is CCc1cc(N2CCC(N(C)C(=O)N(C)C)CC2)ncn1.
What is the InChIKey of 1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1,3,3-trimethylurea?
The InChIKey is BWGKPNUOMLNNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-5-12-10-14(17-11-16-12)20-8-6-13(7-9-20)19(4)15(21)18(2)3/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1,3,3-trimethylurea?
1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1,3,3-trimethylurea has a molecular weight of 291.40 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1,3,3-trimethylurea is sourced from PubChem (CID 166603398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).