4-ethyl-5-methyl-6-[2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine

C17H29N5O2 — CID 72875589

IUPAC4-ethyl-5-methyl-6-[2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine
SMILESCCc1nc(N)nc(N2CCCOC(CN3CCOCC3)C2)c1C
InChIInChI=1S/C17H29N5O2/c1-3-15-13(2)16(20-17(18)19-15)22-5-4-8-24-14(12-22)11-21-6-9-23-10-7-21/h14H,3-12H2,1-2H3,(H2,18,19,20)
InChIKeyKDIWIKBGIYGADG-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.86
Rot. Bonds4

About 4-ethyl-5-methyl-6-[2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine

4-ethyl-5-methyl-6-[2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine (PubChem CID 72875589) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-ethyl-5-methyl-6-[2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethyl-5-methyl-6-[2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine
PubChem CID72875589
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name4-ethyl-5-methyl-6-[2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine
SMILESCCc1nc(N)nc(N2CCCOC(CN3CCOCC3)C2)c1C
InChIInChI=1S/C17H29N5O2/c1-3-15-13(2)16(20-17(18)19-15)22-5-4-8-24-14(12-22)11-21-6-9-23-10-7-21/h14H,3-12H2,1-2H3,(H2,18,19,20)
InChIKeyKDIWIKBGIYGADG-UHFFFAOYSA-N
XLogP0.86
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-6-[2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-ethyl-5-methyl-6-[2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine (CID 72875589) is 4-ethyl-5-methyl-6-[2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethyl-5-methyl-6-[2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-ethyl-5-methyl-6-[2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine is CCc1nc(N)nc(N2CCCOC(CN3CCOCC3)C2)c1C.
What is the InChIKey of 4-ethyl-5-methyl-6-[2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine?
The InChIKey is KDIWIKBGIYGADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-3-15-13(2)16(20-17(18)19-15)22-5-4-8-24-14(12-22)11-21-6-9-23-10-7-21/h14H,3-12H2,1-2H3,(H2,18,19,20).
What are the key properties of 4-ethyl-5-methyl-6-[2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine?
4-ethyl-5-methyl-6-[2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine has a molecular weight of 335.45 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-6-[2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 72875589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).