N-[4-[2-[4-[2-tert-butyl-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]formamide

C25H41N5O2 — CID 90272435

IUPACN-[4-[2-[4-[2-tert-butyl-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]formamide
SMILESCC(C)(C)c1nc(C2CC(O)C2)cc(N2CCN(CCC3CCC(NC=O)CC3)CC2)n1
InChIInChI=1S/C25H41N5O2/c1-25(2,3)24-27-22(19-14-21(32)15-19)16-23(28-24)30-12-10-29(11-13-30)9-8-18-4-6-20(7-5-18)26-17-31/h16-21,32H,4-15H2,1-3H3,(H,26,31)
InChIKeyMAJYTEMGKCYMHL-UHFFFAOYSA-N
MW443.64 g/mol
LogP2.83
Rot. Bonds7

About N-[4-[2-[4-[2-tert-butyl-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]formamide

N-[4-[2-[4-[2-tert-butyl-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]formamide (PubChem CID 90272435) has the molecular formula C25H41N5O2 and a molecular weight of 443.64 g/mol. Its IUPAC name is N-[4-[2-[4-[2-tert-butyl-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]formamide.

Molecular Properties

Compound NameN-[4-[2-[4-[2-tert-butyl-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]formamide
PubChem CID90272435
Molecular FormulaC25H41N5O2
Molecular Weight443.64 g/mol
Exact Mass443.33
IUPAC NameN-[4-[2-[4-[2-tert-butyl-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]formamide
SMILESCC(C)(C)c1nc(C2CC(O)C2)cc(N2CCN(CCC3CCC(NC=O)CC3)CC2)n1
InChIInChI=1S/C25H41N5O2/c1-25(2,3)24-27-22(19-14-21(32)15-19)16-23(28-24)30-12-10-29(11-13-30)9-8-18-4-6-20(7-5-18)26-17-31/h16-21,32H,4-15H2,1-3H3,(H,26,31)
InChIKeyMAJYTEMGKCYMHL-UHFFFAOYSA-N
XLogP2.83
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.64
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]ethyl]cyclobutyl]-3-hydroxycyclobutane-1-carboxamide
CID 86270188
N-[4-[2-[4-[2-tert-butyl-6-(3-methoxycyclobutyl)pyrimidin-4-yl]-2-methylpiperazin-1-yl]ethyl]cyclohexyl]formamide
CID 90272409
N-[4-[2-[4-[2-tert-butyl-6-(2-methoxyethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]-4-hydroxycyclohexane-1-carboxamide
CID 86267338
2-tert-butyl-4-[4-(3-chloropropyl)piperazin-1-yl]-6-cyclopropylpyrimidine
CID 69026125
3-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]propyl acetate
CID 69025431
2-[4-[2-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide
CID 90943462
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-[[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
N-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]formamide
CID 86660876
4-(3-aminocyclobutyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrimidin-2-amine
CID 91788988
2-tert-butyl-4-cyclobutyl-6-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfinyl]propyl]piperazin-1-yl]pyrimidine
CID 66674097

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[2-tert-butyl-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]formamide?
The IUPAC name of N-[4-[2-[4-[2-tert-butyl-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]formamide (CID 90272435) is N-[4-[2-[4-[2-tert-butyl-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]formamide.
What is the SMILES notation for N-[4-[2-[4-[2-tert-butyl-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]formamide?
The canonical SMILES for N-[4-[2-[4-[2-tert-butyl-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]formamide is CC(C)(C)c1nc(C2CC(O)C2)cc(N2CCN(CCC3CCC(NC=O)CC3)CC2)n1.
What is the InChIKey of N-[4-[2-[4-[2-tert-butyl-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]formamide?
The InChIKey is MAJYTEMGKCYMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N5O2/c1-25(2,3)24-27-22(19-14-21(32)15-19)16-23(28-24)30-12-10-29(11-13-30)9-8-18-4-6-20(7-5-18)26-17-31/h16-21,32H,4-15H2,1-3H3,(H,26,31).
What are the key properties of N-[4-[2-[4-[2-tert-butyl-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]formamide?
N-[4-[2-[4-[2-tert-butyl-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]formamide has a molecular weight of 443.64 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[2-tert-butyl-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]formamide is sourced from PubChem (CID 90272435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).