N-(5,5-dimethyloxolan-3-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C14H20N4O — CID 167967827

IUPACN-(5,5-dimethyloxolan-3-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCc1c[nH]c2ncnc(NC3COC(C)(C)C3)c12
InChIInChI=1S/C14H20N4O/c1-4-9-6-15-12-11(9)13(17-8-16-12)18-10-5-14(2,3)19-7-10/h6,8,10H,4-5,7H2,1-3H3,(H2,15,16,17,18)
InChIKeyQXBAVIJREIOSCM-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.50
Rot. Bonds3

About N-(5,5-dimethyloxolan-3-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(5,5-dimethyloxolan-3-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 167967827) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(5,5-dimethyloxolan-3-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5,5-dimethyloxolan-3-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID167967827
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-(5,5-dimethyloxolan-3-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCc1c[nH]c2ncnc(NC3COC(C)(C)C3)c12
InChIInChI=1S/C14H20N4O/c1-4-9-6-15-12-11(9)13(17-8-16-12)18-10-5-14(2,3)19-7-10/h6,8,10H,4-5,7H2,1-3H3,(H2,15,16,17,18)
InChIKeyQXBAVIJREIOSCM-UHFFFAOYSA-N
XLogP2.50
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-N,1-N,1-trimethylcyclohexane-1,4-diamine
CID 167793726
5-ethyl-N-(4-methoxy-4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167913724
5-ethyl-N-(8-oxaspiro[4.5]decan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167799843
[2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]spiro[3.5]nonan-7-yl]methanol
CID 167971272
5-ethyl-N-(1-methoxypiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167933059
N-(2,2-dimethylcyclohexyl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167960214
cis-(1R,2S)-2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol
CID 167830463
N-[(2-tert-butyloxolan-2-yl)methyl]-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167865422
N-butyl-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155187523
3-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one
CID 167991764
5-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167897143
3-cyclopropyl-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol
CID 167819507

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethyloxolan-3-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(5,5-dimethyloxolan-3-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 167967827) is N-(5,5-dimethyloxolan-3-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(5,5-dimethyloxolan-3-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(5,5-dimethyloxolan-3-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCc1c[nH]c2ncnc(NC3COC(C)(C)C3)c12.
What is the InChIKey of N-(5,5-dimethyloxolan-3-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is QXBAVIJREIOSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-9-6-15-12-11(9)13(17-8-16-12)18-10-5-14(2,3)19-7-10/h6,8,10H,4-5,7H2,1-3H3,(H2,15,16,17,18).
What are the key properties of N-(5,5-dimethyloxolan-3-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(5,5-dimethyloxolan-3-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 260.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethyloxolan-3-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 167967827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).