N-[2-(azepan-1-yl)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine

C15H26N4O — CID 66326640

IUPACN-[2-(azepan-1-yl)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine
SMILESCCOc1ncnc(NCCN2CCCCCC2)c1C
InChIInChI=1S/C15H26N4O/c1-3-20-15-13(2)14(17-12-18-15)16-8-11-19-9-6-4-5-7-10-19/h12H,3-11H2,1-2H3,(H,16,17,18)
InChIKeyLEUPGIMHPNKRPN-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.47
Rot. Bonds6

About N-[2-(azepan-1-yl)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine

N-[2-(azepan-1-yl)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine (PubChem CID 66326640) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine
PubChem CID66326640
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[2-(azepan-1-yl)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine
SMILESCCOc1ncnc(NCCN2CCCCCC2)c1C
InChIInChI=1S/C15H26N4O/c1-3-20-15-13(2)14(17-12-18-15)16-8-11-19-9-6-4-5-7-10-19/h12H,3-11H2,1-2H3,(H,16,17,18)
InChIKeyLEUPGIMHPNKRPN-UHFFFAOYSA-N
XLogP2.47
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine (CID 66326640) is N-[2-(azepan-1-yl)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine is CCOc1ncnc(NCCN2CCCCCC2)c1C.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine?
The InChIKey is LEUPGIMHPNKRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-20-15-13(2)14(17-12-18-15)16-8-11-19-9-6-4-5-7-10-19/h12H,3-11H2,1-2H3,(H,16,17,18).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine?
N-[2-(azepan-1-yl)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine has a molecular weight of 278.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine is sourced from PubChem (CID 66326640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).