1-(2-tert-butyl-4-cyclobutylpyrimidin-5-yl)piperidin-4-amine

C17H28N4 — CID 117211511

IUPAC1-(2-tert-butyl-4-cyclobutylpyrimidin-5-yl)piperidin-4-amine
SMILESCC(C)(C)c1ncc(N2CCC(N)CC2)c(C2CCC2)n1
InChIInChI=1S/C17H28N4/c1-17(2,3)16-19-11-14(15(20-16)12-5-4-6-12)21-9-7-13(18)8-10-21/h11-13H,4-10,18H2,1-3H3
InChIKeyHCNICKQVXPMSTI-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.97
Rot. Bonds2

About 1-(2-tert-butyl-4-cyclobutylpyrimidin-5-yl)piperidin-4-amine

1-(2-tert-butyl-4-cyclobutylpyrimidin-5-yl)piperidin-4-amine (PubChem CID 117211511) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-cyclobutylpyrimidin-5-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-tert-butyl-4-cyclobutylpyrimidin-5-yl)piperidin-4-amine
PubChem CID117211511
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-(2-tert-butyl-4-cyclobutylpyrimidin-5-yl)piperidin-4-amine
SMILESCC(C)(C)c1ncc(N2CCC(N)CC2)c(C2CCC2)n1
InChIInChI=1S/C17H28N4/c1-17(2,3)16-19-11-14(15(20-16)12-5-4-6-12)21-9-7-13(18)8-10-21/h11-13H,4-10,18H2,1-3H3
InChIKeyHCNICKQVXPMSTI-UHFFFAOYSA-N
XLogP2.97
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyclopentyl-2-propan-2-ylpyrimidin-5-yl)piperidin-4-amine
CID 117211579
1-(4-cyclopentyl-2-ethylpyrimidin-5-yl)piperidin-4-amine
CID 117211578
1-(2-cyclohexyl-4-cyclopropylpyrimidin-5-yl)piperidin-4-amine
CID 117211421
1-(2-cyclobutyl-4-ethylpyrimidin-5-yl)piperidin-4-amine
CID 117212011
2-[5-(4-aminopiperidin-1-yl)-4-cyclopropylpyrimidin-2-yl]phenol
CID 136934519
1-(2-cyclobutylpyrimidin-5-yl)piperidin-4-amine
CID 117212262
4-cyclopentyl-2-cyclopropyl-5-piperazin-1-ylpyrimidine
CID 117211621
4-cyclohexyl-2-ethyl-5-piperazin-1-ylpyrimidine
CID 117211662
5-(4-aminopiperidin-1-yl)-6-ethyl-1H-pyrimidin-2-one
CID 117211358
1-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine
CID 117211255
1-(5,8-dimethyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-amine
CID 103278608
1-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine
CID 117210828

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-cyclobutylpyrimidin-5-yl)piperidin-4-amine?
The IUPAC name of 1-(2-tert-butyl-4-cyclobutylpyrimidin-5-yl)piperidin-4-amine (CID 117211511) is 1-(2-tert-butyl-4-cyclobutylpyrimidin-5-yl)piperidin-4-amine.
What is the SMILES notation for 1-(2-tert-butyl-4-cyclobutylpyrimidin-5-yl)piperidin-4-amine?
The canonical SMILES for 1-(2-tert-butyl-4-cyclobutylpyrimidin-5-yl)piperidin-4-amine is CC(C)(C)c1ncc(N2CCC(N)CC2)c(C2CCC2)n1.
What is the InChIKey of 1-(2-tert-butyl-4-cyclobutylpyrimidin-5-yl)piperidin-4-amine?
The InChIKey is HCNICKQVXPMSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-17(2,3)16-19-11-14(15(20-16)12-5-4-6-12)21-9-7-13(18)8-10-21/h11-13H,4-10,18H2,1-3H3.
What are the key properties of 1-(2-tert-butyl-4-cyclobutylpyrimidin-5-yl)piperidin-4-amine?
1-(2-tert-butyl-4-cyclobutylpyrimidin-5-yl)piperidin-4-amine has a molecular weight of 288.44 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4-cyclobutylpyrimidin-5-yl)piperidin-4-amine is sourced from PubChem (CID 117211511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).