6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-(4-cyclopropyloxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine

C26H31N5O — CID 169213167

IUPAC6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-(4-cyclopropyloxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCn1c(C2=CCC3(CCNCC3)CC2)c(-c2ccc(OC3CC3)cc2)c2c(N)ncnc21
InChIInChI=1S/C26H31N5O/c1-31-23(18-8-10-26(11-9-18)12-14-28-15-13-26)21(22-24(27)29-16-30-25(22)31)17-2-4-19(5-3-17)32-20-6-7-20/h2-5,8,16,20,28H,6-7,9-15H2,1H3,(H2,27,29,30)
InChIKeyDGEVRLLGZYFNPZ-UHFFFAOYSA-N
MW429.57 g/mol
LogP4.70
Rot. Bonds4

About 6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-(4-cyclopropyloxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine

6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-(4-cyclopropyloxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 169213167) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is 6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-(4-cyclopropyloxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-(4-cyclopropyloxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID169213167
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC Name6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-(4-cyclopropyloxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCn1c(C2=CCC3(CCNCC3)CC2)c(-c2ccc(OC3CC3)cc2)c2c(N)ncnc21
InChIInChI=1S/C26H31N5O/c1-31-23(18-8-10-26(11-9-18)12-14-28-15-13-26)21(22-24(27)29-16-30-25(22)31)17-2-4-19(5-3-17)32-20-6-7-20/h2-5,8,16,20,28H,6-7,9-15H2,1H3,(H2,27,29,30)
InChIKeyDGEVRLLGZYFNPZ-UHFFFAOYSA-N
XLogP4.70
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-azaspiro[5.5]undec-9-en-9-yl)-7-methyl-5-[5-(oxolan-3-yl)pyrimidin-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 169213155
1-[9-[4-amino-5-(5-fluoropyrimidin-2-yl)-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]-3-azaspiro[5.5]undec-9-en-3-yl]prop-2-en-1-one
CID 169213152
3-[9-(4-amino-7-methyl-5-pyrazin-2-ylpyrrolo[2,3-d]pyrimidin-6-yl)-3-azaspiro[5.5]undec-9-en-3-yl]prop-2-enal
CID 174106842
1-[9-[4-amino-7-methyl-5-(oxetan-3-yl)pyrrolo[2,3-d]pyrimidin-6-yl]-3-azaspiro[5.5]undec-9-en-3-yl]prop-2-en-1-one
CID 169213258
6-[9-[4-amino-5-(6-methoxy-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]-3-azaspiro[5.5]undec-9-en-3-yl]-3-[9-(4-amino-7-methyl-5-pyridazin-4-ylpyrrolo[2,3-d]pyrimidin-6-yl)-3-azaspiro[5.5]undec-9-en-3-yl]-4-oxohexa-2,5-dienal
CID 174106892
1-[9-(4-amino-7-methyl-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-6-yl)-3-azaspiro[5.5]undec-9-en-3-yl]prop-2-en-1-one
CID 169213124
6-methyl-5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 90150400
6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-pyrimidin-2-ylpyrazolo[5,1-f][1,2,4]triazin-4-amine
CID 171535633
6-(cyclohexen-1-yl)-5-(5-fluoro-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 169213196
7-cyclohexyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine;ethane;1-methylpiperazine
CID 156857412
5-phenyl-7-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 54208528
tert-butyl 9-(4-amino-2-fluoro-7-methyl-5-pyrimidin-2-ylpyrrolo[2,3-d]pyrimidin-6-yl)-3-azaspiro[5.5]undec-9-ene-3-carboxylate
CID 171535646

Frequently Asked Questions

What is the IUPAC name of 6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-(4-cyclopropyloxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-(4-cyclopropyloxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine (CID 169213167) is 6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-(4-cyclopropyloxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-(4-cyclopropyloxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-(4-cyclopropyloxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine is Cn1c(C2=CCC3(CCNCC3)CC2)c(-c2ccc(OC3CC3)cc2)c2c(N)ncnc21.
What is the InChIKey of 6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-(4-cyclopropyloxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is DGEVRLLGZYFNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c1-31-23(18-8-10-26(11-9-18)12-14-28-15-13-26)21(22-24(27)29-16-30-25(22)31)17-2-4-19(5-3-17)32-20-6-7-20/h2-5,8,16,20,28H,6-7,9-15H2,1H3,(H2,27,29,30).
What are the key properties of 6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-(4-cyclopropyloxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-(4-cyclopropyloxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 429.57 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-(4-cyclopropyloxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 169213167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).