[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]urea

C14H23N5O — CID 71923731

IUPAC[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]urea
SMILESCC(C)(C)c1nccc(N2CCC(NC(N)=O)CC2)n1
InChIInChI=1S/C14H23N5O/c1-14(2,3)12-16-7-4-11(18-12)19-8-5-10(6-9-19)17-13(15)20/h4,7,10H,5-6,8-9H2,1-3H3,(H3,15,17,20)
InChIKeyBTDNNZFTOQFRTJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.41
Rot. Bonds2

About [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]urea

[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]urea (PubChem CID 71923731) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Name[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]urea
PubChem CID71923731
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]urea
SMILESCC(C)(C)c1nccc(N2CCC(NC(N)=O)CC2)n1
InChIInChI=1S/C14H23N5O/c1-14(2,3)12-16-7-4-11(18-12)19-8-5-10(6-9-19)17-13(15)20/h4,7,10H,5-6,8-9H2,1-3H3,(H3,15,17,20)
InChIKeyBTDNNZFTOQFRTJ-UHFFFAOYSA-N
XLogP1.41
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-[4-(2-tert-butylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 133333986
[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 75423664
[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 71862486
1-[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]pyrazole-4-carboxylic acid
CID 167872383
2-tert-butyl-4-(4-methylpiperazin-1-yl)pyrimidine
CID 140914815
[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 133395761
tert-butyl N-[1-(2-tert-butylpyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate
CID 133395545
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 133300182
2-tert-butyl-4-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine
CID 139004229
[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 171994811
tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate
CID 71301860
N-[1-(2-tert-butylpyrimidin-4-yl)pyrrolidin-3-yl]-5-nitropyridin-2-amine
CID 75469640

Frequently Asked Questions

What is the IUPAC name of [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]urea?
The IUPAC name of [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]urea (CID 71923731) is [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]urea.
What is the SMILES notation for [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]urea?
The canonical SMILES for [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]urea is CC(C)(C)c1nccc(N2CCC(NC(N)=O)CC2)n1.
What is the InChIKey of [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]urea?
The InChIKey is BTDNNZFTOQFRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-14(2,3)12-16-7-4-11(18-12)19-8-5-10(6-9-19)17-13(15)20/h4,7,10H,5-6,8-9H2,1-3H3,(H3,15,17,20).
What are the key properties of [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]urea?
[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]urea has a molecular weight of 277.37 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]urea is sourced from PubChem (CID 71923731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).