4-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine

C14H20N4O — CID 123482741

IUPAC4-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine
SMILESCC(C)(C)c1nc(N2CCOCC2)c2cc[nH]c2n1
InChIInChI=1S/C14H20N4O/c1-14(2,3)13-16-11-10(4-5-15-11)12(17-13)18-6-8-19-9-7-18/h4-5H,6-9H2,1-3H3,(H,15,16,17)
InChIKeyLSEKITCTRDXNEP-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.09
Rot. Bonds1

About 4-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine

4-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine (PubChem CID 123482741) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine
PubChem CID123482741
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine
SMILESCC(C)(C)c1nc(N2CCOCC2)c2cc[nH]c2n1
InChIInChI=1S/C14H20N4O/c1-14(2,3)13-16-11-10(4-5-15-11)12(17-13)18-6-8-19-9-7-18/h4-5H,6-9H2,1-3H3,(H,15,16,17)
InChIKeyLSEKITCTRDXNEP-UHFFFAOYSA-N
XLogP2.09
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 129170820
2-methyl-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 67258807
4-(2-tert-butyl-5-iodopyrimidin-4-yl)morpholine
CID 138049511
[5-(2-tert-butyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol
CID 144519570
3-[(2R)-4-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]phenol
CID 97069435
2-cyclopropyl-4-(4-methylsulfanylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 136557272
2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 141303235
4-[6-methyl-4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine
CID 91961246
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)morpholine
CID 58523596
[4-[2-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl] 2,2-dimethylpropanoate
CID 174924772
4-[2-[(methoxyamino)methyl]morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 143698242
4-[4-(aminomethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 141251059

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 4-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine (CID 123482741) is 4-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine is CC(C)(C)c1nc(N2CCOCC2)c2cc[nH]c2n1.
What is the InChIKey of 4-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine?
The InChIKey is LSEKITCTRDXNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-14(2,3)13-16-11-10(4-5-15-11)12(17-13)18-6-8-19-9-7-18/h4-5H,6-9H2,1-3H3,(H,15,16,17).
What are the key properties of 4-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine?
4-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine has a molecular weight of 260.34 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 123482741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).