N-benzyl-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C15H17N5 — CID 133383867

IUPACN-benzyl-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCCN(Cc1ccccc1)c1ncnc2[nH]ncc12
InChIInChI=1S/C15H17N5/c1-2-8-20(10-12-6-4-3-5-7-12)15-13-9-18-19-14(13)16-11-17-15/h3-7,9,11H,2,8,10H2,1H3,(H,16,17,18,19)
InChIKeyODNXETJRTWFBAV-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.77
Rot. Bonds5

About N-benzyl-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-benzyl-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 133383867) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-benzyl-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID133383867
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-benzyl-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCCN(Cc1ccccc1)c1ncnc2[nH]ncc12
InChIInChI=1S/C15H17N5/c1-2-8-20(10-12-6-4-3-5-7-12)15-13-9-18-19-14(13)16-11-17-15/h3-7,9,11H,2,8,10H2,1H3,(H,16,17,18,19)
InChIKeyODNXETJRTWFBAV-UHFFFAOYSA-N
XLogP2.77
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-N-(2-pyridin-2-ylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 71980290
N-benzyl-N-ethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430366
6-N-benzyl-6-N-propyl-1H-indazole-5,6-diamine
CID 107489047
2-N-benzyl-3-bromo-2-N-propylpyridine-2,5-diamine
CID 79531545
4-N-benzyl-2-methyl-4-N-propyl-1H-imidazole-4,5-diamine
CID 55011806
N'-benzyl-N'-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 61013957
N-benzyl-N-propylaniline
CID 14671265
N-ethyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 134714406
2-[benzyl(pyrido[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 110433912
N-methyl-N-(2-methylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133276812
N'-benzyl-N'-(7H-purin-6-yl)ethane-1,2-diamine
CID 61013592
4-N-benzyl-4-N-ethylquinazoline-4,7-diamine
CID 65336807

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 133383867) is N-benzyl-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine is CCCN(Cc1ccccc1)c1ncnc2[nH]ncc12.
What is the InChIKey of N-benzyl-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is ODNXETJRTWFBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-2-8-20(10-12-6-4-3-5-7-12)15-13-9-18-19-14(13)16-11-17-15/h3-7,9,11H,2,8,10H2,1H3,(H,16,17,18,19).
What are the key properties of N-benzyl-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-benzyl-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 267.34 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133383867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).