N-ethyl-N-methyl-2-[1-(1,4-oxazepan-4-yl)hex-5-en-2-yloxy]pyrimidin-4-amine

C18H30N4O2 — CID 56909424

IUPACN-ethyl-N-methyl-2-[1-(1,4-oxazepan-4-yl)hex-5-en-2-yloxy]pyrimidin-4-amine
SMILESC=CCCC(CN1CCCOCC1)Oc1nccc(N(C)CC)n1
InChIInChI=1S/C18H30N4O2/c1-4-6-8-16(15-22-11-7-13-23-14-12-22)24-18-19-10-9-17(20-18)21(3)5-2/h4,9-10,16H,1,5-8,11-15H2,2-3H3
InChIKeyLRNNCSZDGKGQCI-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.37
Rot. Bonds9

About N-ethyl-N-methyl-2-[1-(1,4-oxazepan-4-yl)hex-5-en-2-yloxy]pyrimidin-4-amine

N-ethyl-N-methyl-2-[1-(1,4-oxazepan-4-yl)hex-5-en-2-yloxy]pyrimidin-4-amine (PubChem CID 56909424) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[1-(1,4-oxazepan-4-yl)hex-5-en-2-yloxy]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[1-(1,4-oxazepan-4-yl)hex-5-en-2-yloxy]pyrimidin-4-amine
PubChem CID56909424
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-ethyl-N-methyl-2-[1-(1,4-oxazepan-4-yl)hex-5-en-2-yloxy]pyrimidin-4-amine
SMILESC=CCCC(CN1CCCOCC1)Oc1nccc(N(C)CC)n1
InChIInChI=1S/C18H30N4O2/c1-4-6-8-16(15-22-11-7-13-23-14-12-22)24-18-19-10-9-17(20-18)21(3)5-2/h4,9-10,16H,1,5-8,11-15H2,2-3H3
InChIKeyLRNNCSZDGKGQCI-UHFFFAOYSA-N
XLogP2.37
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[1-(1,4-oxazepan-4-yl)hex-5-en-2-yloxy]pyrimidin-4-amine?
The IUPAC name of N-ethyl-N-methyl-2-[1-(1,4-oxazepan-4-yl)hex-5-en-2-yloxy]pyrimidin-4-amine (CID 56909424) is N-ethyl-N-methyl-2-[1-(1,4-oxazepan-4-yl)hex-5-en-2-yloxy]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-N-methyl-2-[1-(1,4-oxazepan-4-yl)hex-5-en-2-yloxy]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-N-methyl-2-[1-(1,4-oxazepan-4-yl)hex-5-en-2-yloxy]pyrimidin-4-amine is C=CCCC(CN1CCCOCC1)Oc1nccc(N(C)CC)n1.
What is the InChIKey of N-ethyl-N-methyl-2-[1-(1,4-oxazepan-4-yl)hex-5-en-2-yloxy]pyrimidin-4-amine?
The InChIKey is LRNNCSZDGKGQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-4-6-8-16(15-22-11-7-13-23-14-12-22)24-18-19-10-9-17(20-18)21(3)5-2/h4,9-10,16H,1,5-8,11-15H2,2-3H3.
What are the key properties of N-ethyl-N-methyl-2-[1-(1,4-oxazepan-4-yl)hex-5-en-2-yloxy]pyrimidin-4-amine?
N-ethyl-N-methyl-2-[1-(1,4-oxazepan-4-yl)hex-5-en-2-yloxy]pyrimidin-4-amine has a molecular weight of 334.46 g/mol, XLogP of 2.37, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[1-(1,4-oxazepan-4-yl)hex-5-en-2-yloxy]pyrimidin-4-amine is sourced from PubChem (CID 56909424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).