N-ethyl-N-methyl-2-(1-morpholin-4-ylhex-5-en-2-yloxy)pyrimidin-4-amine

C17H28N4O2 — CID 56909932

IUPACN-ethyl-N-methyl-2-(1-morpholin-4-ylhex-5-en-2-yloxy)pyrimidin-4-amine
SMILESC=CCCC(CN1CCOCC1)Oc1nccc(N(C)CC)n1
InChIInChI=1S/C17H28N4O2/c1-4-6-7-15(14-21-10-12-22-13-11-21)23-17-18-9-8-16(19-17)20(3)5-2/h4,8-9,15H,1,5-7,10-14H2,2-3H3
InChIKeyIVNONKBWCQBVQW-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.98
Rot. Bonds9

About N-ethyl-N-methyl-2-(1-morpholin-4-ylhex-5-en-2-yloxy)pyrimidin-4-amine

N-ethyl-N-methyl-2-(1-morpholin-4-ylhex-5-en-2-yloxy)pyrimidin-4-amine (PubChem CID 56909932) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-(1-morpholin-4-ylhex-5-en-2-yloxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-(1-morpholin-4-ylhex-5-en-2-yloxy)pyrimidin-4-amine
PubChem CID56909932
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-ethyl-N-methyl-2-(1-morpholin-4-ylhex-5-en-2-yloxy)pyrimidin-4-amine
SMILESC=CCCC(CN1CCOCC1)Oc1nccc(N(C)CC)n1
InChIInChI=1S/C17H28N4O2/c1-4-6-7-15(14-21-10-12-22-13-11-21)23-17-18-9-8-16(19-17)20(3)5-2/h4,8-9,15H,1,5-7,10-14H2,2-3H3
InChIKeyIVNONKBWCQBVQW-UHFFFAOYSA-N
XLogP1.98
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.98
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-morpholin-4-ylhex-5-en-2-yloxy)pyrimidin-4-amine?
The IUPAC name of N-ethyl-N-methyl-2-(1-morpholin-4-ylhex-5-en-2-yloxy)pyrimidin-4-amine (CID 56909932) is N-ethyl-N-methyl-2-(1-morpholin-4-ylhex-5-en-2-yloxy)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-N-methyl-2-(1-morpholin-4-ylhex-5-en-2-yloxy)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-N-methyl-2-(1-morpholin-4-ylhex-5-en-2-yloxy)pyrimidin-4-amine is C=CCCC(CN1CCOCC1)Oc1nccc(N(C)CC)n1.
What is the InChIKey of N-ethyl-N-methyl-2-(1-morpholin-4-ylhex-5-en-2-yloxy)pyrimidin-4-amine?
The InChIKey is IVNONKBWCQBVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-4-6-7-15(14-21-10-12-22-13-11-21)23-17-18-9-8-16(19-17)20(3)5-2/h4,8-9,15H,1,5-7,10-14H2,2-3H3.
What are the key properties of N-ethyl-N-methyl-2-(1-morpholin-4-ylhex-5-en-2-yloxy)pyrimidin-4-amine?
N-ethyl-N-methyl-2-(1-morpholin-4-ylhex-5-en-2-yloxy)pyrimidin-4-amine has a molecular weight of 320.44 g/mol, XLogP of 1.98, 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-morpholin-4-ylhex-5-en-2-yloxy)pyrimidin-4-amine is sourced from PubChem (CID 56909932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).