2-[(1-amino-2,3-dihydro-1H-inden-5-yl)methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine

C19H25N7 — CID 168839295

IUPAC2-[(1-amino-2,3-dihydro-1H-inden-5-yl)methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine
SMILESCCCCNc1nc(N)nc2cn(Cc3ccc4c(c3)CCC4N)nc12
InChIInChI=1S/C19H25N7/c1-2-3-8-22-18-17-16(23-19(21)24-18)11-26(25-17)10-12-4-6-14-13(9-12)5-7-15(14)20/h4,6,9,11,15H,2-3,5,7-8,10,20H2,1H3,(H3,21,22,23,24)
InChIKeyMBJMAZCWDQENSM-UHFFFAOYSA-N
MW351.46 g/mol
LogP2.61
Rot. Bonds6

About 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine

2-[(1-amino-2,3-dihydro-1H-inden-5-yl)methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine (PubChem CID 168839295) has the molecular formula C19H25N7 and a molecular weight of 351.46 g/mol. Its IUPAC name is 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name2-[(1-amino-2,3-dihydro-1H-inden-5-yl)methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine
PubChem CID168839295
Molecular FormulaC19H25N7
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC Name2-[(1-amino-2,3-dihydro-1H-inden-5-yl)methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine
SMILESCCCCNc1nc(N)nc2cn(Cc3ccc4c(c3)CCC4N)nc12
InChIInChI=1S/C19H25N7/c1-2-3-8-22-18-17-16(23-19(21)24-18)11-26(25-17)10-12-4-6-14-13(9-12)5-7-15(14)20/h4,6,9,11,15H,2-3,5,7-8,10,20H2,1H3,(H3,21,22,23,24)
InChIKeyMBJMAZCWDQENSM-UHFFFAOYSA-N
XLogP2.61
TPSA107.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-N-butyl-2-[[4-[(2R)-pyrrolidin-2-yl]phenyl]methyl]pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 168839213
2-[[4-(aminomethyl)-2,6-dimethoxyphenyl]methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 168839247
7-N-butyl-2-[[4-(chloromethyl)-2,6-dimethoxyphenyl]methyl]pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 168839086
2-[[4-[(2S)-2-aminopropyl]-2,6-dimethoxyphenyl]methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 168839333
1-[[1-[[4-[[5-amino-7-(butylamino)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]methyl]azetidin-3-yl]methyl]pyrrole-2,5-dione
CID 168839235
2-[4-[2-[4-[[5-amino-7-(butylamino)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]ethyl]phenyl]ethanol
CID 148904741
2-[[4-[(4-aminobutylamino)methyl]-2,6-dimethoxyphenyl]methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 172601409
7-N-butyl-2-[[2-methoxy-4-(4-methylsulfonylbutyl)phenyl]methyl]pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 153163988
7-N-butyl-2-[(3-methoxy-4-pyridinyl)methyl]pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 168839312
7-N-butyl-2-[(4-methoxy-3-pyridinyl)methyl]pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 168839228
2-[[6-(3-aminopropylamino)-3-methoxy-2-pyridinyl]methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 168839114
6-[[4-(aminomethyl)phenyl]methyl]-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine
CID 149046473

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine?
The IUPAC name of 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine (CID 168839295) is 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine?
The canonical SMILES for 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine is CCCCNc1nc(N)nc2cn(Cc3ccc4c(c3)CCC4N)nc12.
What is the InChIKey of 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine?
The InChIKey is MBJMAZCWDQENSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7/c1-2-3-8-22-18-17-16(23-19(21)24-18)11-26(25-17)10-12-4-6-14-13(9-12)5-7-15(14)20/h4,6,9,11,15H,2-3,5,7-8,10,20H2,1H3,(H3,21,22,23,24).
What are the key properties of 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine?
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine has a molecular weight of 351.46 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 168839295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).