6-(4-ethylazepan-1-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine

C17H30N4 — CID 80823095

IUPAC6-(4-ethylazepan-1-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(N2CCCC(CC)CC2)c1C
InChIInChI=1S/C17H30N4/c1-5-10-18-16-13(3)17(20-14(4)19-16)21-11-7-8-15(6-2)9-12-21/h15H,5-12H2,1-4H3,(H,18,19,20)
InChIKeyDINOORZZPSGFTF-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.93
Rot. Bonds5

About 6-(4-ethylazepan-1-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine

6-(4-ethylazepan-1-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine (PubChem CID 80823095) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 6-(4-ethylazepan-1-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-ethylazepan-1-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine
PubChem CID80823095
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name6-(4-ethylazepan-1-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(N2CCCC(CC)CC2)c1C
InChIInChI=1S/C17H30N4/c1-5-10-18-16-13(3)17(20-14(4)19-16)21-11-7-8-15(6-2)9-12-21/h15H,5-12H2,1-4H3,(H,18,19,20)
InChIKeyDINOORZZPSGFTF-UHFFFAOYSA-N
XLogP3.93
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
CID 80779109
6-(4-ethylpiperidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 80795154
2,5-dimethyl-6-morpholin-4-yl-N-propylpyrimidin-4-amine
CID 80767316
1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674594
6-(3,3-dimethylpyrrolidin-1-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80854736
4-N-(2-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80790570
1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperidin-4-ol
CID 80764591
[1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 112629574
1-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol
CID 80981249
N-ethyl-2,5-dimethyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine
CID 80784750
[2-tert-butyl-6-(4-ethylpiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80995529
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N,2,5-trimethylpyrimidin-4-amine
CID 80805607

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylazepan-1-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-ethylazepan-1-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine (CID 80823095) is 6-(4-ethylazepan-1-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-ethylazepan-1-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-ethylazepan-1-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine is CCCNc1nc(C)nc(N2CCCC(CC)CC2)c1C.
What is the InChIKey of 6-(4-ethylazepan-1-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine?
The InChIKey is DINOORZZPSGFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-10-18-16-13(3)17(20-14(4)19-16)21-11-7-8-15(6-2)9-12-21/h15H,5-12H2,1-4H3,(H,18,19,20).
What are the key properties of 6-(4-ethylazepan-1-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine?
6-(4-ethylazepan-1-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine has a molecular weight of 290.46 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylazepan-1-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80823095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).