4-(2,7-diazaspiro[4.4]nonan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine;dihydrochloride

C13H19Cl2N5 — CID 141448659

IUPAC4-(2,7-diazaspiro[4.4]nonan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine;dihydrochloride
SMILESCl.Cl.c1nc(N2CCC3(CCNC3)C2)c2cc[nH]c2n1
InChIInChI=1S/C13H17N5.2ClH/c1-4-15-11-10(1)12(17-9-16-11)18-6-3-13(8-18)2-5-14-7-13;;/h1,4,9,14H,2-3,5-8H2,(H,15,16,17);2*1H
InChIKeyRNFRPYLXMHWMBT-UHFFFAOYSA-N
MW316.24 g/mol
LogP1.99
Rot. Bonds1

About 4-(2,7-diazaspiro[4.4]nonan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine;dihydrochloride

4-(2,7-diazaspiro[4.4]nonan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine;dihydrochloride (PubChem CID 141448659) has the molecular formula C13H19Cl2N5 and a molecular weight of 316.24 g/mol. Its IUPAC name is 4-(2,7-diazaspiro[4.4]nonan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine;dihydrochloride.

Molecular Properties

Compound Name4-(2,7-diazaspiro[4.4]nonan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine;dihydrochloride
PubChem CID141448659
Molecular FormulaC13H19Cl2N5
Molecular Weight316.24 g/mol
Exact Mass315.10
IUPAC Name4-(2,7-diazaspiro[4.4]nonan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine;dihydrochloride
SMILESCl.Cl.c1nc(N2CCC3(CCNC3)C2)c2cc[nH]c2n1
InChIInChI=1S/C13H17N5.2ClH/c1-4-15-11-10(1)12(17-9-16-11)18-6-3-13(8-18)2-5-14-7-13;;/h1,4,9,14H,2-3,5-8H2,(H,15,16,17);2*1H
InChIKeyRNFRPYLXMHWMBT-UHFFFAOYSA-N
XLogP1.99
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2,7-diazaspiro[4.4]nonan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine;dihydrochloride with MolForge

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Related Compounds

7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
CID 122559840
7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 155953699
(5S)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[4.5]decane
CID 129267667
4-(4,7-diazaspiro[2.6]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 66653687
pyridin-4-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone
CID 66653851
4-(2,5-diazaspiro[3.4]octan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 141448679
1-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane
CID 90265129
4-(3-ethyl-3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 139004861
4-[(4-chlorophenyl)methoxymethyl]piperidin-4-amine;4-[(4-chlorophenyl)methoxymethyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine;dihydrochloride
CID 158285606
4-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonane-8-carbonyl]-1H-pyridin-2-one
CID 66654021
pyrimidin-4-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone
CID 56645397
4-[5-(2-phenylpropyl)-5,8-diazaspiro[2.6]nonan-8-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 141316860

Frequently Asked Questions

What is the IUPAC name of 4-(2,7-diazaspiro[4.4]nonan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine;dihydrochloride?
The IUPAC name of 4-(2,7-diazaspiro[4.4]nonan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine;dihydrochloride (CID 141448659) is 4-(2,7-diazaspiro[4.4]nonan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine;dihydrochloride.
What is the SMILES notation for 4-(2,7-diazaspiro[4.4]nonan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine;dihydrochloride?
The canonical SMILES for 4-(2,7-diazaspiro[4.4]nonan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine;dihydrochloride is Cl.Cl.c1nc(N2CCC3(CCNC3)C2)c2cc[nH]c2n1.
What is the InChIKey of 4-(2,7-diazaspiro[4.4]nonan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine;dihydrochloride?
The InChIKey is RNFRPYLXMHWMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5.2ClH/c1-4-15-11-10(1)12(17-9-16-11)18-6-3-13(8-18)2-5-14-7-13;;/h1,4,9,14H,2-3,5-8H2,(H,15,16,17);2*1H.
What are the key properties of 4-(2,7-diazaspiro[4.4]nonan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine;dihydrochloride?
4-(2,7-diazaspiro[4.4]nonan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine;dihydrochloride has a molecular weight of 316.24 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,7-diazaspiro[4.4]nonan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine;dihydrochloride is sourced from PubChem (CID 141448659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).