2-(4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)-4-propylmorpholine

C16H24ClN3O — CID 79663270

IUPAC2-(4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)-4-propylmorpholine
SMILESCCCN1CCOC(c2nc(Cl)c3c(n2)CCCCC3)C1
InChIInChI=1S/C16H24ClN3O/c1-2-8-20-9-10-21-14(11-20)16-18-13-7-5-3-4-6-12(13)15(17)19-16/h14H,2-11H2,1H3
InChIKeyUOIOXUBEPUXMQI-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.18
Rot. Bonds3

About 2-(4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)-4-propylmorpholine

2-(4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)-4-propylmorpholine (PubChem CID 79663270) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-(4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)-4-propylmorpholine.

Molecular Properties

Compound Name2-(4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)-4-propylmorpholine
PubChem CID79663270
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-(4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)-4-propylmorpholine
SMILESCCCN1CCOC(c2nc(Cl)c3c(n2)CCCCC3)C1
InChIInChI=1S/C16H24ClN3O/c1-2-8-20-9-10-21-14(11-20)16-18-13-7-5-3-4-6-12(13)15(17)19-16/h14H,2-11H2,1H3
InChIKeyUOIOXUBEPUXMQI-UHFFFAOYSA-N
XLogP3.18
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-5,6,7,8-tetrahydroquinazolin-2-yl)-4-methylmorpholine
CID 79078490
2-(4-propylmorpholin-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472072
2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-propylmorpholine
CID 79669077
2-(4-propylmorpholin-2-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 79658032
2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-ethylmorpholine
CID 79666831
5-bromo-6-methyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657186
1-[4,6-dimethyl-2-(4-propylmorpholin-2-yl)pyrimidin-5-yl]-N-methylmethanamine
CID 79657347
N,6-dimethyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657800
5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657802
4-ethyl-2-(4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)morpholine
CID 114739493
2-(4,6-dichloropyrimidin-2-yl)-4-ethylmorpholine
CID 79666573
2-(4-propylmorpholin-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 79657410

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)-4-propylmorpholine?
The IUPAC name of 2-(4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)-4-propylmorpholine (CID 79663270) is 2-(4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)-4-propylmorpholine.
What is the SMILES notation for 2-(4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)-4-propylmorpholine?
The canonical SMILES for 2-(4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)-4-propylmorpholine is CCCN1CCOC(c2nc(Cl)c3c(n2)CCCCC3)C1.
What is the InChIKey of 2-(4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)-4-propylmorpholine?
The InChIKey is UOIOXUBEPUXMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-2-8-20-9-10-21-14(11-20)16-18-13-7-5-3-4-6-12(13)15(17)19-16/h14H,2-11H2,1H3.
What are the key properties of 2-(4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)-4-propylmorpholine?
2-(4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)-4-propylmorpholine has a molecular weight of 309.84 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)-4-propylmorpholine is sourced from PubChem (CID 79663270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).