N,N-diethyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine

C17H21N5 — CID 930586

IUPACN,N-diethyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCN(CC)c1ncnc2c1cnn2Cc1ccc(C)cc1
InChIInChI=1S/C17H21N5/c1-4-21(5-2)16-15-10-20-22(17(15)19-12-18-16)11-14-8-6-13(3)7-9-14/h6-10,12H,4-5,11H2,1-3H3
InChIKeyZDSKCBKVXGAOEE-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.03
Rot. Bonds5

About N,N-diethyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine

N,N-diethyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 930586) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is N,N-diethyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID930586
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC NameN,N-diethyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCN(CC)c1ncnc2c1cnn2Cc1ccc(C)cc1
InChIInChI=1S/C17H21N5/c1-4-21(5-2)16-15-10-20-22(17(15)19-12-18-16)11-14-8-6-13(3)7-9-14/h6-10,12H,4-5,11H2,1-3H3
InChIKeyZDSKCBKVXGAOEE-UHFFFAOYSA-N
XLogP3.03
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N,N-dibutylpyrazolo[5,4-d]pyrimidin-4-amine
CID 2270504
[1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 930618
N-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 930210
2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 53196804
4-(3,5-dimethylpiperidin-1-yl)-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidine
CID 3659259
N,N-diethyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 7205366
2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 53196750
N-benzyl-1-(2,5-dimethylphenyl)-N-ethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 17017316
4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidine
CID 55172408
2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 95112936
2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(1-phenylethyl)acetamide
CID 53196767
2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53196741

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N,N-diethyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine (CID 930586) is N,N-diethyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,N-diethyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N,N-diethyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine is CCN(CC)c1ncnc2c1cnn2Cc1ccc(C)cc1.
What is the InChIKey of N,N-diethyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is ZDSKCBKVXGAOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-4-21(5-2)16-15-10-20-22(17(15)19-12-18-16)11-14-8-6-13(3)7-9-14/h6-10,12H,4-5,11H2,1-3H3.
What are the key properties of N,N-diethyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
N,N-diethyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 295.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 930586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).