N-ethyl-6-(2-ethylazepan-1-yl)-2-propylpyrimidin-4-amine

C17H30N4 — CID 104693100

IUPACN-ethyl-6-(2-ethylazepan-1-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(N2CCCCCC2CC)n1
InChIInChI=1S/C17H30N4/c1-4-10-15-19-16(18-6-3)13-17(20-15)21-12-9-7-8-11-14(21)5-2/h13-14H,4-12H2,1-3H3,(H,18,19,20)
InChIKeyLNJYXIYFJCJCJA-UHFFFAOYSA-N
MW290.46 g/mol
LogP4.02
Rot. Bonds6

About N-ethyl-6-(2-ethylazepan-1-yl)-2-propylpyrimidin-4-amine

N-ethyl-6-(2-ethylazepan-1-yl)-2-propylpyrimidin-4-amine (PubChem CID 104693100) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is N-ethyl-6-(2-ethylazepan-1-yl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(2-ethylazepan-1-yl)-2-propylpyrimidin-4-amine
PubChem CID104693100
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC NameN-ethyl-6-(2-ethylazepan-1-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(N2CCCCCC2CC)n1
InChIInChI=1S/C17H30N4/c1-4-10-15-19-16(18-6-3)13-17(20-15)21-12-9-7-8-11-14(21)5-2/h13-14H,4-12H2,1-3H3,(H,18,19,20)
InChIKeyLNJYXIYFJCJCJA-UHFFFAOYSA-N
XLogP4.02
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640655
2-ethyl-6-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80933803
[6-(2-methylazepan-1-yl)-2-propylpyrimidin-4-yl]hydrazine
CID 80947173
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,2-diethylpyrimidin-4-amine
CID 80934977
[1-[2-amino-6-(ethylamino)pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640645
N-ethyl-6-(4-ethylazepan-1-yl)-2-propylpyrimidin-4-amine
CID 80944664
N-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80798245
N-cyclohexyl-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112869044
4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-6-propylpyridine
CID 113380643
2-[1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidin-2-yl]ethanol
CID 80767376
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
6-(2-ethylpiperidin-1-yl)-2-methyl-N-propan-2-ylpyrimidin-4-amine
CID 112867342

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-ethylazepan-1-yl)-2-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(2-ethylazepan-1-yl)-2-propylpyrimidin-4-amine (CID 104693100) is N-ethyl-6-(2-ethylazepan-1-yl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(2-ethylazepan-1-yl)-2-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(2-ethylazepan-1-yl)-2-propylpyrimidin-4-amine is CCCc1nc(NCC)cc(N2CCCCCC2CC)n1.
What is the InChIKey of N-ethyl-6-(2-ethylazepan-1-yl)-2-propylpyrimidin-4-amine?
The InChIKey is LNJYXIYFJCJCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-4-10-15-19-16(18-6-3)13-17(20-15)21-12-9-7-8-11-14(21)5-2/h13-14H,4-12H2,1-3H3,(H,18,19,20).
What are the key properties of N-ethyl-6-(2-ethylazepan-1-yl)-2-propylpyrimidin-4-amine?
N-ethyl-6-(2-ethylazepan-1-yl)-2-propylpyrimidin-4-amine has a molecular weight of 290.46 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-ethylazepan-1-yl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 104693100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).