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

C17H26N4O — CID 167865422

IUPACN-[(2-tert-butyloxolan-2-yl)methyl]-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCc1c[nH]c2ncnc(NCC3(C(C)(C)C)CCCO3)c12
InChIInChI=1S/C17H26N4O/c1-5-12-9-18-14-13(12)15(21-11-20-14)19-10-17(16(2,3)4)7-6-8-22-17/h9,11H,5-8,10H2,1-4H3,(H2,18,19,20,21)
InChIKeyRVADHKIBVGXFGQ-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.53
Rot. Bonds4

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

N-[(2-tert-butyloxolan-2-yl)methyl]-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 167865422) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[(2-tert-butyloxolan-2-yl)methyl]-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-tert-butyloxolan-2-yl)methyl]-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID167865422
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-[(2-tert-butyloxolan-2-yl)methyl]-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCc1c[nH]c2ncnc(NCC3(C(C)(C)C)CCCO3)c12
InChIInChI=1S/C17H26N4O/c1-5-12-9-18-14-13(12)15(21-11-20-14)19-10-17(16(2,3)4)7-6-8-22-17/h9,11H,5-8,10H2,1-4H3,(H2,18,19,20,21)
InChIKeyRVADHKIBVGXFGQ-UHFFFAOYSA-N
XLogP3.53
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2-tert-butyloxolan-2-yl)methyl]-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine 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

N-butyl-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155187523
N-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 170556578
N-(2,2-dimethylcyclohexyl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167960214
N-(5,5-dimethyloxolan-3-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167967827
5-ethyl-N-(8-oxaspiro[4.5]decan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167799843
cis-(1R,2S)-2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol
CID 167830463
4-cyclohexyl-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ol
CID 167879818
5-ethyl-N-(4-methoxy-4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167913724
4-N-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-N,1-N,1-trimethylcyclohexane-1,4-diamine
CID 167793726
4-cyclobutyl-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ol
CID 167770192
[2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]spiro[3.5]nonan-7-yl]methanol
CID 167971272
5-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167897143

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyloxolan-2-yl)methyl]-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-tert-butyloxolan-2-yl)methyl]-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 167865422) is N-[(2-tert-butyloxolan-2-yl)methyl]-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-tert-butyloxolan-2-yl)methyl]-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-tert-butyloxolan-2-yl)methyl]-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCc1c[nH]c2ncnc(NCC3(C(C)(C)C)CCCO3)c12.
What is the InChIKey of N-[(2-tert-butyloxolan-2-yl)methyl]-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is RVADHKIBVGXFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-5-12-9-18-14-13(12)15(21-11-20-14)19-10-17(16(2,3)4)7-6-8-22-17/h9,11H,5-8,10H2,1-4H3,(H2,18,19,20,21).
What are the key properties of N-[(2-tert-butyloxolan-2-yl)methyl]-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[(2-tert-butyloxolan-2-yl)methyl]-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 302.42 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyloxolan-2-yl)methyl]-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 167865422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).