2-(4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)-4-propan-2-ylmorpholine

C16H26N4O — CID 114742471

IUPAC2-(4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)-4-propan-2-ylmorpholine
SMILESCCc1nc(C2CN(C(C)C)CCO2)nc2c1CCNC2
InChIInChI=1S/C16H26N4O/c1-4-13-12-5-6-17-9-14(12)19-16(18-13)15-10-20(11(2)3)7-8-21-15/h11,15,17H,4-10H2,1-3H3
InChIKeyBBKWXJQHIGGOHM-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.47
Rot. Bonds3

About 2-(4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)-4-propan-2-ylmorpholine

2-(4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)-4-propan-2-ylmorpholine (PubChem CID 114742471) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-(4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)-4-propan-2-ylmorpholine
PubChem CID114742471
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-(4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)-4-propan-2-ylmorpholine
SMILESCCc1nc(C2CN(C(C)C)CCO2)nc2c1CCNC2
InChIInChI=1S/C16H26N4O/c1-4-13-12-5-6-17-9-14(12)19-16(18-13)15-10-20(11(2)3)7-8-21-15/h11,15,17H,4-10H2,1-3H3
InChIKeyBBKWXJQHIGGOHM-UHFFFAOYSA-N
XLogP1.47
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)-4-propan-2-ylmorpholine with MolForge

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Related Compounds

4-methyl-2-(4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)morpholine
CID 114742578
4-ethyl-2-(4-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)morpholine
CID 114738606
2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742523
4-ethyl-6-(4-propan-2-ylmorpholin-2-yl)-1,3,5-triazin-2-amine
CID 79662449
4-propan-2-yl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine
CID 79665423
4-ethyl-2-(4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)morpholine
CID 114739493
2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-propan-2-ylmorpholine
CID 79657822
4-ethyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742482
4-methyl-2-(4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)morpholine
CID 114739024
[2-(4-propan-2-ylmorpholin-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473602
[3-(4-propan-2-ylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
CID 79662691
2-(4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)-4-ethylmorpholine
CID 114739733

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)-4-propan-2-ylmorpholine?
The IUPAC name of 2-(4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)-4-propan-2-ylmorpholine (CID 114742471) is 2-(4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-(4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)-4-propan-2-ylmorpholine?
The canonical SMILES for 2-(4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)-4-propan-2-ylmorpholine is CCc1nc(C2CN(C(C)C)CCO2)nc2c1CCNC2.
What is the InChIKey of 2-(4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)-4-propan-2-ylmorpholine?
The InChIKey is BBKWXJQHIGGOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-13-12-5-6-17-9-14(12)19-16(18-13)15-10-20(11(2)3)7-8-21-15/h11,15,17H,4-10H2,1-3H3.
What are the key properties of 2-(4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)-4-propan-2-ylmorpholine?
2-(4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)-4-propan-2-ylmorpholine has a molecular weight of 290.41 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)-4-propan-2-ylmorpholine is sourced from PubChem (CID 114742471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).