N-benzyl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine

C16H19N5 — CID 141034362

IUPACN-benzyl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCCc1nn(C)c2c(NCc3ccccc3)ncnc12
InChIInChI=1S/C16H19N5/c1-3-7-13-14-15(21(2)20-13)16(19-11-18-14)17-10-12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3,(H,17,18,19)
InChIKeyYEFBDQCNBQWXTR-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.93
Rot. Bonds5

About N-benzyl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine

N-benzyl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 141034362) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-benzyl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-benzyl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID141034362
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN-benzyl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCCc1nn(C)c2c(NCc3ccccc3)ncnc12
InChIInChI=1S/C16H19N5/c1-3-7-13-14-15(21(2)20-13)16(19-11-18-14)17-10-12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3,(H,17,18,19)
InChIKeyYEFBDQCNBQWXTR-UHFFFAOYSA-N
XLogP2.93
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-7-methylpurin-6-amine
CID 12693530
N-benzyl-9-heptylpurin-6-amine
CID 71371736
1-methyl-5-[(E)-2-phenylethenyl]-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine
CID 155528164
N-benzyl-1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-amine
CID 39893304
N-benzyl-9-[6-[(4-methylphenyl)methylamino]purin-9-yl]purin-6-amine
CID 66780721
5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 172839638
5-[7-[(3-methoxyphenyl)methylamino]-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-5-yl]pentanoic acid
CID 23499002
N-[(4-fluorophenyl)methyl]-1-methyl-3-propyl-5-[2-(3,5,6-trimethylpyrazin-2-yl)ethenyl]pyrazolo[4,5-d]pyrimidin-7-amine
CID 175139718
4-N-benzyl-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 23487265
N-benzyl-9-ethenylpurin-6-amine
CID 14035909
1-methyl-N-(2-phenylethyl)-3-propyl-5-(2-pyridin-3-ylethenyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 175137969
N-benzyl-9-(oxiran-2-yl)purin-6-amine
CID 174692063

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-benzyl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine (CID 141034362) is N-benzyl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-benzyl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-benzyl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine is CCCc1nn(C)c2c(NCc3ccccc3)ncnc12.
What is the InChIKey of N-benzyl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is YEFBDQCNBQWXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-3-7-13-14-15(21(2)20-13)16(19-11-18-14)17-10-12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3,(H,17,18,19).
What are the key properties of N-benzyl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine?
N-benzyl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 281.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 141034362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).