4-(4-chloro-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine

C13H19ClN4O — CID 170985406

IUPAC4-(4-chloro-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine
SMILESCC(C)N1CCc2c(Cl)nc(N3CCOCC3)nc21
InChIInChI=1S/C13H19ClN4O/c1-9(2)18-4-3-10-11(14)15-13(16-12(10)18)17-5-7-19-8-6-17/h9H,3-8H2,1-2H3
InChIKeyTZDLYVAVOMQECG-UHFFFAOYSA-N
MW282.78 g/mol
LogP1.74
Rot. Bonds2

About 4-(4-chloro-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine

4-(4-chloro-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine (PubChem CID 170985406) has the molecular formula C13H19ClN4O and a molecular weight of 282.78 g/mol. Its IUPAC name is 4-(4-chloro-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-chloro-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine
PubChem CID170985406
Molecular FormulaC13H19ClN4O
Molecular Weight282.78 g/mol
Exact Mass282.12
IUPAC Name4-(4-chloro-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine
SMILESCC(C)N1CCc2c(Cl)nc(N3CCOCC3)nc21
InChIInChI=1S/C13H19ClN4O/c1-9(2)18-4-3-10-11(14)15-13(16-12(10)18)17-5-7-19-8-6-17/h9H,3-8H2,1-2H3
InChIKeyTZDLYVAVOMQECG-UHFFFAOYSA-N
XLogP1.74
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.78
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-chloro-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-morpholin-4-yl-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine
CID 118444322
3-(4-chloro-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)benzonitrile
CID 168923756
4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)morpholine
CID 66294584
4-chloro-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 759895
4-(4-chloro-6-propan-2-ylsulfanyl-1,3,5-triazin-2-yl)morpholine
CID 62865622
(4-chloro-2-morpholin-4-ylpyrimidin-5-yl)-trimethylsilane
CID 132918077
4-[5-chloro-4-(3-methylbutan-2-yl)pyrimidin-2-yl]morpholine
CID 146521751
4-(4,6-dimethyl-1,3,5-triazin-2-yl)morpholine;ethane
CID 159951324
4-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine
CID 45133473
4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 63868604
4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine
CID 134511412
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine;2,4,6-trichloro-1,3,5-triazine;hydrochloride
CID 173009515

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine?
The IUPAC name of 4-(4-chloro-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine (CID 170985406) is 4-(4-chloro-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine.
What is the SMILES notation for 4-(4-chloro-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine?
The canonical SMILES for 4-(4-chloro-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine is CC(C)N1CCc2c(Cl)nc(N3CCOCC3)nc21.
What is the InChIKey of 4-(4-chloro-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine?
The InChIKey is TZDLYVAVOMQECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-9(2)18-4-3-10-11(14)15-13(16-12(10)18)17-5-7-19-8-6-17/h9H,3-8H2,1-2H3.
What are the key properties of 4-(4-chloro-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine?
4-(4-chloro-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine has a molecular weight of 282.78 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine is sourced from PubChem (CID 170985406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).