N-cycloheptyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine

C15H24N6 — CID 115306725

IUPACN-cycloheptyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCn1ncc2c(NCCNC3CCCCCC3)ncnc21
InChIInChI=1S/C15H24N6/c1-21-15-13(10-20-21)14(18-11-19-15)17-9-8-16-12-6-4-2-3-5-7-12/h10-12,16H,2-9H2,1H3,(H,17,18,19)
InChIKeyLHBXSGXEZJMQEM-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.09
Rot. Bonds5

About N-cycloheptyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine

N-cycloheptyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 115306725) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-cycloheptyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cycloheptyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
PubChem CID115306725
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC NameN-cycloheptyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCn1ncc2c(NCCNC3CCCCCC3)ncnc21
InChIInChI=1S/C15H24N6/c1-21-15-13(10-20-21)14(18-11-19-15)17-9-8-16-12-6-4-2-3-5-7-12/h10-12,16H,2-9H2,1H3,(H,17,18,19)
InChIKeyLHBXSGXEZJMQEM-UHFFFAOYSA-N
XLogP2.09
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 26017163
1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 60710985
N-cyclopropyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanamide
CID 112730894
1-ethyl-2-[3-(2-methylpiperidin-1-yl)propyl]-3-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]guanidine
CID 111371093
1-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 22590085
N-ethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
CID 54906576
6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 103917942
N-(3-butoxypropyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431867
N-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 60710802
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 103970405
2-[3-(azepan-1-yl)propyl]-1-ethyl-3-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]guanidine
CID 111325154
3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 66005488

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N-cycloheptyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine (CID 115306725) is N-cycloheptyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cycloheptyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-cycloheptyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine is Cn1ncc2c(NCCNC3CCCCCC3)ncnc21.
What is the InChIKey of N-cycloheptyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is LHBXSGXEZJMQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-21-15-13(10-20-21)14(18-11-19-15)17-9-8-16-12-6-4-2-3-5-7-12/h10-12,16H,2-9H2,1H3,(H,17,18,19).
What are the key properties of N-cycloheptyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
N-cycloheptyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 288.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 115306725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).