6-tert-butyl-2-cycloheptyl-N-ethylpyrimidin-4-amine

C17H29N3 — CID 65399986

IUPAC6-tert-butyl-2-cycloheptyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc(C2CCCCCC2)n1
InChIInChI=1S/C17H29N3/c1-5-18-15-12-14(17(2,3)4)19-16(20-15)13-10-8-6-7-9-11-13/h12-13H,5-11H2,1-4H3,(H,18,19,20)
InChIKeyIDPIAPASWURJGN-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.64
Rot. Bonds3

About 6-tert-butyl-2-cycloheptyl-N-ethylpyrimidin-4-amine

6-tert-butyl-2-cycloheptyl-N-ethylpyrimidin-4-amine (PubChem CID 65399986) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 6-tert-butyl-2-cycloheptyl-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-cycloheptyl-N-ethylpyrimidin-4-amine
PubChem CID65399986
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name6-tert-butyl-2-cycloheptyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc(C2CCCCCC2)n1
InChIInChI=1S/C17H29N3/c1-5-18-15-12-14(17(2,3)4)19-16(20-15)13-10-8-6-7-9-11-13/h12-13H,5-11H2,1-4H3,(H,18,19,20)
InChIKeyIDPIAPASWURJGN-UHFFFAOYSA-N
XLogP4.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclooctyl-N,6-diethylpyrimidin-4-amine
CID 80609911
2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine
CID 80609287
6-tert-butyl-N-ethyl-2-(oxolan-2-yl)pyrimidin-4-amine
CID 65328095
2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 55045869
6-cyclohexyloxy-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965359
2-cyclohexyl-N-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82458405
2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 62192687
2-cyclopropyl-6-N-ethyl-4-N-(2-methylcycloheptyl)pyrimidine-4,6-diamine
CID 80959481
4-tert-butyl-6-chloro-2-cyclobutylpyrimidine
CID 64982449
2-cyclopropyl-6-N-ethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80955815
4-N-(cyclobutylmethyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80968066
2-cyclohexyl-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 63486677

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-cycloheptyl-N-ethylpyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-cycloheptyl-N-ethylpyrimidin-4-amine (CID 65399986) is 6-tert-butyl-2-cycloheptyl-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-cycloheptyl-N-ethylpyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-cycloheptyl-N-ethylpyrimidin-4-amine is CCNc1cc(C(C)(C)C)nc(C2CCCCCC2)n1.
What is the InChIKey of 6-tert-butyl-2-cycloheptyl-N-ethylpyrimidin-4-amine?
The InChIKey is IDPIAPASWURJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-18-15-12-14(17(2,3)4)19-16(20-15)13-10-8-6-7-9-11-13/h12-13H,5-11H2,1-4H3,(H,18,19,20).
What are the key properties of 6-tert-butyl-2-cycloheptyl-N-ethylpyrimidin-4-amine?
6-tert-butyl-2-cycloheptyl-N-ethylpyrimidin-4-amine has a molecular weight of 275.44 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-cycloheptyl-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 65399986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).