N-ethyl-6-(4-propylazepan-1-yl)pyrimidin-4-amine

C15H26N4 — CID 80837648

IUPACN-ethyl-6-(4-propylazepan-1-yl)pyrimidin-4-amine
SMILESCCCC1CCCN(c2cc(NCC)ncn2)CC1
InChIInChI=1S/C15H26N4/c1-3-6-13-7-5-9-19(10-8-13)15-11-14(16-4-2)17-12-18-15/h11-13H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyLZOVKKGJVOALKU-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.32
Rot. Bonds5

About N-ethyl-6-(4-propylazepan-1-yl)pyrimidin-4-amine

N-ethyl-6-(4-propylazepan-1-yl)pyrimidin-4-amine (PubChem CID 80837648) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-ethyl-6-(4-propylazepan-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(4-propylazepan-1-yl)pyrimidin-4-amine
PubChem CID80837648
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-ethyl-6-(4-propylazepan-1-yl)pyrimidin-4-amine
SMILESCCCC1CCCN(c2cc(NCC)ncn2)CC1
InChIInChI=1S/C15H26N4/c1-3-6-13-7-5-9-19(10-8-13)15-11-14(16-4-2)17-12-18-15/h11-13H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyLZOVKKGJVOALKU-UHFFFAOYSA-N
XLogP3.32
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-(4-methylazepan-1-yl)pyrimidin-4-amine
CID 80834548
N-ethyl-2-propyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
CID 80941270
4-fluoro-6-(4-propylpiperidin-1-yl)pyrimidine
CID 115416875
N-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80757593
3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53188596
1-[6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 80799616
3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 53188551
N-ethyl-6-(4-ethylazepan-1-yl)-2-propylpyrimidin-4-amine
CID 80944664
N,N-dimethyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
CID 53188576
N-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80798245
1-[6-(ethylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674454
tert-butyl 4-[3-[(3R)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]propanoyl]piperazine-1-carboxylate
CID 95103020

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(4-propylazepan-1-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(4-propylazepan-1-yl)pyrimidin-4-amine (CID 80837648) is N-ethyl-6-(4-propylazepan-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(4-propylazepan-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(4-propylazepan-1-yl)pyrimidin-4-amine is CCCC1CCCN(c2cc(NCC)ncn2)CC1.
What is the InChIKey of N-ethyl-6-(4-propylazepan-1-yl)pyrimidin-4-amine?
The InChIKey is LZOVKKGJVOALKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-6-13-7-5-9-19(10-8-13)15-11-14(16-4-2)17-12-18-15/h11-13H,3-10H2,1-2H3,(H,16,17,18).
What are the key properties of N-ethyl-6-(4-propylazepan-1-yl)pyrimidin-4-amine?
N-ethyl-6-(4-propylazepan-1-yl)pyrimidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(4-propylazepan-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80837648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).