6-cycloheptyloxy-5-ethyl-N-propylpyrimidin-4-amine

C16H27N3O — CID 80871776

IUPAC6-cycloheptyloxy-5-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(OC2CCCCCC2)c1CC
InChIInChI=1S/C16H27N3O/c1-3-11-17-15-14(4-2)16(19-12-18-15)20-13-9-7-5-6-8-10-13/h12-13H,3-11H2,1-2H3,(H,17,18,19)
InChIKeyIGQFMOFCJBOEJD-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.96
Rot. Bonds6

About 6-cycloheptyloxy-5-ethyl-N-propylpyrimidin-4-amine

6-cycloheptyloxy-5-ethyl-N-propylpyrimidin-4-amine (PubChem CID 80871776) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 6-cycloheptyloxy-5-ethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cycloheptyloxy-5-ethyl-N-propylpyrimidin-4-amine
PubChem CID80871776
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name6-cycloheptyloxy-5-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(OC2CCCCCC2)c1CC
InChIInChI=1S/C16H27N3O/c1-3-11-17-15-14(4-2)16(19-12-18-15)20-13-9-7-5-6-8-10-13/h12-13H,3-11H2,1-2H3,(H,17,18,19)
InChIKeyIGQFMOFCJBOEJD-UHFFFAOYSA-N
XLogP3.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-6-(4-methylcyclohexyl)oxy-N-propylpyrimidin-4-amine
CID 80858878
(6-cyclohexyloxy-5-ethylpyrimidin-4-yl)hydrazine
CID 80910051
5-ethyl-6-(3-methoxycyclohexyl)oxy-N-methylpyrimidin-4-amine
CID 80876040
4-N-cycloheptyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80771825
4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80771503
4-N-cyclopentyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80770351
N-ethyl-6-(3-methoxycyclohexyl)oxy-5-propylpyrimidin-4-amine
CID 80880199
5-methyl-6-(1-methylpiperidin-4-yl)oxy-N-propylpyrimidin-4-amine
CID 80873812
5-ethyl-4-N-(2-methylcycloheptyl)-6-N-propylpyrimidine-4,6-diamine
CID 80830803
6-cyclohexyloxy-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80859432
6-(oxan-4-yloxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80872308
5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine
CID 80859758

Frequently Asked Questions

What is the IUPAC name of 6-cycloheptyloxy-5-ethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-cycloheptyloxy-5-ethyl-N-propylpyrimidin-4-amine (CID 80871776) is 6-cycloheptyloxy-5-ethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-cycloheptyloxy-5-ethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-cycloheptyloxy-5-ethyl-N-propylpyrimidin-4-amine is CCCNc1ncnc(OC2CCCCCC2)c1CC.
What is the InChIKey of 6-cycloheptyloxy-5-ethyl-N-propylpyrimidin-4-amine?
The InChIKey is IGQFMOFCJBOEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-11-17-15-14(4-2)16(19-12-18-15)20-13-9-7-5-6-8-10-13/h12-13H,3-11H2,1-2H3,(H,17,18,19).
What are the key properties of 6-cycloheptyloxy-5-ethyl-N-propylpyrimidin-4-amine?
6-cycloheptyloxy-5-ethyl-N-propylpyrimidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cycloheptyloxy-5-ethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80871776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).