6-ethyl-N-methyl-2-morpholin-4-yl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine

C17H26N6O2 — CID 50978397

IUPAC6-ethyl-N-methyl-2-morpholin-4-yl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
SMILESCCc1cc(N(C)Cc2noc(C(C)C)n2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H26N6O2/c1-5-13-10-15(20-17(18-13)23-6-8-24-9-7-23)22(4)11-14-19-16(12(2)3)25-21-14/h10,12H,5-9,11H2,1-4H3
InChIKeyGZGKNHBUEIDUFZ-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.02
Rot. Bonds6

About 6-ethyl-N-methyl-2-morpholin-4-yl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine

6-ethyl-N-methyl-2-morpholin-4-yl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine (PubChem CID 50978397) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 6-ethyl-N-methyl-2-morpholin-4-yl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-methyl-2-morpholin-4-yl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
PubChem CID50978397
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name6-ethyl-N-methyl-2-morpholin-4-yl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
SMILESCCc1cc(N(C)Cc2noc(C(C)C)n2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H26N6O2/c1-5-13-10-15(20-17(18-13)23-6-8-24-9-7-23)22(4)11-14-19-16(12(2)3)25-21-14/h10,12H,5-9,11H2,1-4H3
InChIKeyGZGKNHBUEIDUFZ-UHFFFAOYSA-N
XLogP2.02
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-methyl-2-morpholin-4-yl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-methyl-2-morpholin-4-yl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine (CID 50978397) is 6-ethyl-N-methyl-2-morpholin-4-yl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-methyl-2-morpholin-4-yl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-methyl-2-morpholin-4-yl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine is CCc1cc(N(C)Cc2noc(C(C)C)n2)nc(N2CCOCC2)n1.
What is the InChIKey of 6-ethyl-N-methyl-2-morpholin-4-yl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is GZGKNHBUEIDUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-5-13-10-15(20-17(18-13)23-6-8-24-9-7-23)22(4)11-14-19-16(12(2)3)25-21-14/h10,12H,5-9,11H2,1-4H3.
What are the key properties of 6-ethyl-N-methyl-2-morpholin-4-yl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine?
6-ethyl-N-methyl-2-morpholin-4-yl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 346.44 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-methyl-2-morpholin-4-yl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 50978397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).