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

C18H30N4O2 — CID 56890410

IUPACN,N,5-trimethyl-2-[1-(1,4-oxazepan-4-yl)hex-5-en-2-yloxy]pyrimidin-4-amine
SMILESC=CCCC(CN1CCCOCC1)Oc1ncc(C)c(N(C)C)n1
InChIInChI=1S/C18H30N4O2/c1-5-6-8-16(14-22-9-7-11-23-12-10-22)24-18-19-13-15(2)17(20-18)21(3)4/h5,13,16H,1,6-12,14H2,2-4H3
InChIKeyRMCCOJCOTIIQHZ-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.29
Rot. Bonds8

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

N,N,5-trimethyl-2-[1-(1,4-oxazepan-4-yl)hex-5-en-2-yloxy]pyrimidin-4-amine (PubChem CID 56890410) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N,N,5-trimethyl-2-[1-(1,4-oxazepan-4-yl)hex-5-en-2-yloxy]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N,5-trimethyl-2-[1-(1,4-oxazepan-4-yl)hex-5-en-2-yloxy]pyrimidin-4-amine
PubChem CID56890410
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN,N,5-trimethyl-2-[1-(1,4-oxazepan-4-yl)hex-5-en-2-yloxy]pyrimidin-4-amine
SMILESC=CCCC(CN1CCCOCC1)Oc1ncc(C)c(N(C)C)n1
InChIInChI=1S/C18H30N4O2/c1-5-6-8-16(14-22-9-7-11-23-12-10-22)24-18-19-13-15(2)17(20-18)21(3)4/h5,13,16H,1,6-12,14H2,2-4H3
InChIKeyRMCCOJCOTIIQHZ-UHFFFAOYSA-N
XLogP2.29
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.29
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,N,5-trimethyl-2-[1-(1,4-oxazepan-4-yl)hex-5-en-2-yloxy]pyrimidin-4-amine?
The IUPAC name of N,N,5-trimethyl-2-[1-(1,4-oxazepan-4-yl)hex-5-en-2-yloxy]pyrimidin-4-amine (CID 56890410) is N,N,5-trimethyl-2-[1-(1,4-oxazepan-4-yl)hex-5-en-2-yloxy]pyrimidin-4-amine.
What is the SMILES notation for N,N,5-trimethyl-2-[1-(1,4-oxazepan-4-yl)hex-5-en-2-yloxy]pyrimidin-4-amine?
The canonical SMILES for N,N,5-trimethyl-2-[1-(1,4-oxazepan-4-yl)hex-5-en-2-yloxy]pyrimidin-4-amine is C=CCCC(CN1CCCOCC1)Oc1ncc(C)c(N(C)C)n1.
What is the InChIKey of N,N,5-trimethyl-2-[1-(1,4-oxazepan-4-yl)hex-5-en-2-yloxy]pyrimidin-4-amine?
The InChIKey is RMCCOJCOTIIQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-5-6-8-16(14-22-9-7-11-23-12-10-22)24-18-19-13-15(2)17(20-18)21(3)4/h5,13,16H,1,6-12,14H2,2-4H3.
What are the key properties of N,N,5-trimethyl-2-[1-(1,4-oxazepan-4-yl)hex-5-en-2-yloxy]pyrimidin-4-amine?
N,N,5-trimethyl-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 2.29, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-2-[1-(1,4-oxazepan-4-yl)hex-5-en-2-yloxy]pyrimidin-4-amine is sourced from PubChem (CID 56890410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).