N-ethyl-4-(4-ethylazepan-1-yl)-5-methylpyrimidin-2-amine

C15H26N4 — CID 80837924

IUPACN-ethyl-4-(4-ethylazepan-1-yl)-5-methylpyrimidin-2-amine
SMILESCCNc1ncc(C)c(N2CCCC(CC)CC2)n1
InChIInChI=1S/C15H26N4/c1-4-13-7-6-9-19(10-8-13)14-12(3)11-17-15(18-14)16-5-2/h11,13H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyBQMRISFMTAEQJW-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.23
Rot. Bonds4

About N-ethyl-4-(4-ethylazepan-1-yl)-5-methylpyrimidin-2-amine

N-ethyl-4-(4-ethylazepan-1-yl)-5-methylpyrimidin-2-amine (PubChem CID 80837924) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-ethyl-4-(4-ethylazepan-1-yl)-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-ethylazepan-1-yl)-5-methylpyrimidin-2-amine
PubChem CID80837924
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-ethyl-4-(4-ethylazepan-1-yl)-5-methylpyrimidin-2-amine
SMILESCCNc1ncc(C)c(N2CCCC(CC)CC2)n1
InChIInChI=1S/C15H26N4/c1-4-13-7-6-9-19(10-8-13)14-12(3)11-17-15(18-14)16-5-2/h11,13H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyBQMRISFMTAEQJW-UHFFFAOYSA-N
XLogP3.23
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-ethyl-4-(4-ethylazepan-1-yl)pyrimidin-2-amine
CID 80837449
5-methyl-N-propyl-4-(4-propylazepan-1-yl)pyrimidin-2-amine
CID 80823681
4-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-2-amine
CID 80824282
N-ethyl-5-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80827968
5-methyl-4-(4-propan-2-ylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80824205
1-[2-(ethylamino)-5-methylpyrimidin-4-yl]piperidine-3-carboxamide
CID 80756566
1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol
CID 102971036
5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764571
4-(3,5-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-2-amine
CID 80767776
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-ethyl-5-methylpyrimidin-2-amine
CID 80825001
4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
CID 102887788
5-bromo-N-ethyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 80767151

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-ethylazepan-1-yl)-5-methylpyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(4-ethylazepan-1-yl)-5-methylpyrimidin-2-amine (CID 80837924) is N-ethyl-4-(4-ethylazepan-1-yl)-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(4-ethylazepan-1-yl)-5-methylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(4-ethylazepan-1-yl)-5-methylpyrimidin-2-amine is CCNc1ncc(C)c(N2CCCC(CC)CC2)n1.
What is the InChIKey of N-ethyl-4-(4-ethylazepan-1-yl)-5-methylpyrimidin-2-amine?
The InChIKey is BQMRISFMTAEQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-13-7-6-9-19(10-8-13)14-12(3)11-17-15(18-14)16-5-2/h11,13H,4-10H2,1-3H3,(H,16,17,18).
What are the key properties of N-ethyl-4-(4-ethylazepan-1-yl)-5-methylpyrimidin-2-amine?
N-ethyl-4-(4-ethylazepan-1-yl)-5-methylpyrimidin-2-amine has a molecular weight of 262.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-ethylazepan-1-yl)-5-methylpyrimidin-2-amine is sourced from PubChem (CID 80837924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).