2-[[6-(3-aminopropylamino)-3-methoxy-2-pyridinyl]methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine

C19H29N9O — CID 168839114

IUPAC2-[[6-(3-aminopropylamino)-3-methoxy-2-pyridinyl]methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine
SMILESCCCCNc1nc(N)nc2cn(Cc3nc(NCCCN)ccc3OC)nc12
InChIInChI=1S/C19H29N9O/c1-3-4-9-23-18-17-14(25-19(21)26-18)12-28(27-17)11-13-15(29-2)6-7-16(24-13)22-10-5-8-20/h6-7,12H,3-5,8-11,20H2,1-2H3,(H,22,24)(H3,21,23,25,26)
InChIKeyWZQBQBDYPUFQQT-UHFFFAOYSA-N
MW399.50 g/mol
LogP1.83
Rot. Bonds11

About 2-[[6-(3-aminopropylamino)-3-methoxy-2-pyridinyl]methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine

2-[[6-(3-aminopropylamino)-3-methoxy-2-pyridinyl]methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine (PubChem CID 168839114) has the molecular formula C19H29N9O and a molecular weight of 399.50 g/mol. Its IUPAC name is 2-[[6-(3-aminopropylamino)-3-methoxy-2-pyridinyl]methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name2-[[6-(3-aminopropylamino)-3-methoxy-2-pyridinyl]methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine
PubChem CID168839114
Molecular FormulaC19H29N9O
Molecular Weight399.50 g/mol
Exact Mass399.25
IUPAC Name2-[[6-(3-aminopropylamino)-3-methoxy-2-pyridinyl]methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine
SMILESCCCCNc1nc(N)nc2cn(Cc3nc(NCCCN)ccc3OC)nc12
InChIInChI=1S/C19H29N9O/c1-3-4-9-23-18-17-14(25-19(21)26-18)12-28(27-17)11-13-15(29-2)6-7-16(24-13)22-10-5-8-20/h6-7,12H,3-5,8-11,20H2,1-2H3,(H,22,24)(H3,21,23,25,26)
InChIKeyWZQBQBDYPUFQQT-UHFFFAOYSA-N
XLogP1.83
TPSA141.82 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(aminomethyl)-2,6-dimethoxyphenyl]methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 168839247
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-[[4-[(4-aminobutylamino)methyl]-2,6-dimethoxyphenyl]methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 172601409
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
2-[4-[2-[4-[[5-amino-7-(butylamino)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]ethyl]phenyl]ethanol
CID 148904741
7-N-butyl-2-[[2-methoxy-4-(4-methylsulfonylbutyl)phenyl]methyl]pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 153163988
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
1-[2-[2-[4-[[5-amino-7-(butylamino)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]pyrrole-2,5-dione
CID 168839085
7-N-butyl-2-[[4-[(2R)-pyrrolidin-2-yl]phenyl]methyl]pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 168839213
2-[(2,6-dimethoxyphenyl)methyl]-7-N-pentan-2-ylpyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 168839301

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3-aminopropylamino)-3-methoxy-2-pyridinyl]methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine?
The IUPAC name of 2-[[6-(3-aminopropylamino)-3-methoxy-2-pyridinyl]methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine (CID 168839114) is 2-[[6-(3-aminopropylamino)-3-methoxy-2-pyridinyl]methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 2-[[6-(3-aminopropylamino)-3-methoxy-2-pyridinyl]methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine?
The canonical SMILES for 2-[[6-(3-aminopropylamino)-3-methoxy-2-pyridinyl]methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine is CCCCNc1nc(N)nc2cn(Cc3nc(NCCCN)ccc3OC)nc12.
What is the InChIKey of 2-[[6-(3-aminopropylamino)-3-methoxy-2-pyridinyl]methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine?
The InChIKey is WZQBQBDYPUFQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N9O/c1-3-4-9-23-18-17-14(25-19(21)26-18)12-28(27-17)11-13-15(29-2)6-7-16(24-13)22-10-5-8-20/h6-7,12H,3-5,8-11,20H2,1-2H3,(H,22,24)(H3,21,23,25,26).
What are the key properties of 2-[[6-(3-aminopropylamino)-3-methoxy-2-pyridinyl]methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine?
2-[[6-(3-aminopropylamino)-3-methoxy-2-pyridinyl]methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine has a molecular weight of 399.50 g/mol, XLogP of 1.83, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3-aminopropylamino)-3-methoxy-2-pyridinyl]methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 168839114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).