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

C15H17N5 — CID 39893304

IUPACN-benzyl-1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1nc(NCc2ccccc2)c2c(n1)c(C)nn2C
InChIInChI=1S/C15H17N5/c1-10-13-14(20(3)19-10)15(18-11(2)17-13)16-9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H,16,17,18)
InChIKeyXUQSQIRVFPHEDW-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.59
Rot. Bonds3

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

N-benzyl-1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 39893304) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-benzyl-1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-benzyl-1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID39893304
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-benzyl-1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1nc(NCc2ccccc2)c2c(n1)c(C)nn2C
InChIInChI=1S/C15H17N5/c1-10-13-14(20(3)19-10)15(18-11(2)17-13)16-9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H,16,17,18)
InChIKeyXUQSQIRVFPHEDW-UHFFFAOYSA-N
XLogP2.59
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine
CID 141034362
N-benzyl-3,10-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine
CID 71516728
1-ethyl-3,5-dimethyl-N-phenylpyrazolo[4,5-d]pyrimidin-7-amine
CID 91946197
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoxalin-2-amine
CID 79033643
[4-[[(1,5-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)amino]methyl]phenyl]boronic acid;prop-2-ynylbenzene
CID 165130525
N-benzyl-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;ethane
CID 144555850
N-benzyl-6-chloro-2-methyl-5-prop-2-enylpyrimidin-4-amine
CID 854382
N-benzyl-1,2-dimethylpyrrolo[2,3-c]pyridin-7-amine
CID 67422882
N-benzyl-1-methylimidazo[4,5-c]pyridin-4-amine
CID 1400630
N-benzyl-2-methyl-6-phenylpyrimidin-4-amine
CID 16957885
N-benzyl-8-chloro-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 3749039
3-benzyl-N-[(4-fluorophenyl)methyl]-5-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 5011979

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-benzyl-1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-amine (CID 39893304) is N-benzyl-1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-benzyl-1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-benzyl-1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-amine is Cc1nc(NCc2ccccc2)c2c(n1)c(C)nn2C.
What is the InChIKey of N-benzyl-1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is XUQSQIRVFPHEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-10-13-14(20(3)19-10)15(18-11(2)17-13)16-9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H,16,17,18).
What are the key properties of N-benzyl-1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-amine?
N-benzyl-1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 267.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 39893304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).