N-[3-[2-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]ethyl]cyclobutyl]-3-hydroxycyclobutane-1-carboxamide

C27H43N5O2 — CID 86270188

IUPACN-[3-[2-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]ethyl]cyclobutyl]-3-hydroxycyclobutane-1-carboxamide
SMILESCC(C)(C)c1nc(C2CCC2)cc(N2CCN(CCC3CC(NC(=O)C4CC(O)C4)C3)CC2)n1
InChIInChI=1S/C27H43N5O2/c1-27(2,3)26-29-23(19-5-4-6-19)17-24(30-26)32-11-9-31(10-12-32)8-7-18-13-21(14-18)28-25(34)20-15-22(33)16-20/h17-22,33H,4-16H2,1-3H3,(H,28,34)
InChIKeyFRZXOHYLOHTWIQ-UHFFFAOYSA-N
MW469.67 g/mol
LogP3.22
Rot. Bonds7

About N-[3-[2-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]ethyl]cyclobutyl]-3-hydroxycyclobutane-1-carboxamide

N-[3-[2-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]ethyl]cyclobutyl]-3-hydroxycyclobutane-1-carboxamide (PubChem CID 86270188) has the molecular formula C27H43N5O2 and a molecular weight of 469.67 g/mol. Its IUPAC name is N-[3-[2-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]ethyl]cyclobutyl]-3-hydroxycyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]ethyl]cyclobutyl]-3-hydroxycyclobutane-1-carboxamide
PubChem CID86270188
Molecular FormulaC27H43N5O2
Molecular Weight469.67 g/mol
Exact Mass469.34
IUPAC NameN-[3-[2-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]ethyl]cyclobutyl]-3-hydroxycyclobutane-1-carboxamide
SMILESCC(C)(C)c1nc(C2CCC2)cc(N2CCN(CCC3CC(NC(=O)C4CC(O)C4)C3)CC2)n1
InChIInChI=1S/C27H43N5O2/c1-27(2,3)26-29-23(19-5-4-6-19)17-24(30-26)32-11-9-31(10-12-32)8-7-18-13-21(14-18)28-25(34)20-15-22(33)16-20/h17-22,33H,4-16H2,1-3H3,(H,28,34)
InChIKeyFRZXOHYLOHTWIQ-UHFFFAOYSA-N
XLogP3.22
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.67
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-[4-[2-tert-butyl-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]formamide
CID 90272435
3-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]propyl acetate
CID 69025431
N-[4-[2-[4-[2-tert-butyl-6-(2-methoxyethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]-4-hydroxycyclohexane-1-carboxamide
CID 86267338
N-[4-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]butyl]pyrimidine-5-carboxamide
CID 86635173
N-[4-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]butyl]pyridazine-4-carboxamide
CID 86635175
2-tert-butyl-4-[4-(3-chloropropyl)piperazin-1-yl]-6-cyclopropylpyrimidine
CID 69026125
[2-[[3-[2-[4-[2-tert-butyl-6-(2-methoxyethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclobutyl]amino]-2-oxoethyl] 2,2,2-trifluoroacetate
CID 90112847
4-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]butan-1-amine;pyrazine-2-carboxylic acid
CID 69341672
2-tert-butyl-4-cyclobutyl-6-piperazin-1-ylpyrimidine
CID 66673390
2-tert-butyl-4-cyclobutyl-6-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfinyl]propyl]piperazin-1-yl]pyrimidine
CID 66674097
but-2-enedioic acid;2-tert-butyl-4-cyclobutyl-6-[4-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazin-1-yl]pyrimidine
CID 69027590
but-2-enedioic acid;2-[3-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one
CID 69026636

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]ethyl]cyclobutyl]-3-hydroxycyclobutane-1-carboxamide?
The IUPAC name of N-[3-[2-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]ethyl]cyclobutyl]-3-hydroxycyclobutane-1-carboxamide (CID 86270188) is N-[3-[2-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]ethyl]cyclobutyl]-3-hydroxycyclobutane-1-carboxamide.
What is the SMILES notation for N-[3-[2-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]ethyl]cyclobutyl]-3-hydroxycyclobutane-1-carboxamide?
The canonical SMILES for N-[3-[2-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]ethyl]cyclobutyl]-3-hydroxycyclobutane-1-carboxamide is CC(C)(C)c1nc(C2CCC2)cc(N2CCN(CCC3CC(NC(=O)C4CC(O)C4)C3)CC2)n1.
What is the InChIKey of N-[3-[2-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]ethyl]cyclobutyl]-3-hydroxycyclobutane-1-carboxamide?
The InChIKey is FRZXOHYLOHTWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N5O2/c1-27(2,3)26-29-23(19-5-4-6-19)17-24(30-26)32-11-9-31(10-12-32)8-7-18-13-21(14-18)28-25(34)20-15-22(33)16-20/h17-22,33H,4-16H2,1-3H3,(H,28,34).
What are the key properties of N-[3-[2-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]ethyl]cyclobutyl]-3-hydroxycyclobutane-1-carboxamide?
N-[3-[2-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]ethyl]cyclobutyl]-3-hydroxycyclobutane-1-carboxamide has a molecular weight of 469.67 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]ethyl]cyclobutyl]-3-hydroxycyclobutane-1-carboxamide is sourced from PubChem (CID 86270188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).