N-benzyl-5-methylsulfonyl-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine

C16H19N5O2S — CID 52951989

IUPACN-benzyl-5-methylsulfonyl-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCC(C)c1[nH]nc2c(NCc3ccccc3)nc(S(C)(=O)=O)nc12
InChIInChI=1S/C16H19N5O2S/c1-10(2)12-13-14(21-20-12)15(19-16(18-13)24(3,22)23)17-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyRZNFXVQSFWLLQR-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.49
Rot. Bonds5

About N-benzyl-5-methylsulfonyl-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine

N-benzyl-5-methylsulfonyl-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 52951989) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is N-benzyl-5-methylsulfonyl-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-benzyl-5-methylsulfonyl-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID52951989
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC NameN-benzyl-5-methylsulfonyl-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCC(C)c1[nH]nc2c(NCc3ccccc3)nc(S(C)(=O)=O)nc12
InChIInChI=1S/C16H19N5O2S/c1-10(2)12-13-14(21-20-12)15(19-16(18-13)24(3,22)23)17-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyRZNFXVQSFWLLQR-UHFFFAOYSA-N
XLogP2.49
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[(4-phenylphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 177241957
1-[[7-[[4-(furan-2-yl)phenyl]methylamino]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]-2-methylpropan-2-ol
CID 146479238
5-(4-phenylbutyl)-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 135721214
N-benzyl-9-[(2,6-difluoro-3-methylphenyl)methyl]-2-methylsulfonylpurin-6-amine
CID 155228875
3-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 122688235
5-[2-(methylamino)ethylsulfanyl]-3-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 155514044
5-N-(4-aminocyclohexyl)-7-N-[(3-methoxyphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 68792504
4-N-benzyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80980652
5-(2-aminocyclohexyl)sulfanyl-3-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 155553824
N-[(4-chlorophenyl)methyl]-2-methylsulfonyl-7H-purin-6-amine
CID 3355812
N-benzyl-2-chloro-5-propan-2-ylpyrimidin-4-amine
CID 118141132
7-(benzylamino)-3-propan-2-yl-5,10-dihydro-2H-pyrazolo[3,4-b][1,5]benzodiazepin-4-one
CID 142650256

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-methylsulfonyl-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of N-benzyl-5-methylsulfonyl-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine (CID 52951989) is N-benzyl-5-methylsulfonyl-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for N-benzyl-5-methylsulfonyl-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for N-benzyl-5-methylsulfonyl-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine is CC(C)c1[nH]nc2c(NCc3ccccc3)nc(S(C)(=O)=O)nc12.
What is the InChIKey of N-benzyl-5-methylsulfonyl-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is RZNFXVQSFWLLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-10(2)12-13-14(21-20-12)15(19-16(18-13)24(3,22)23)17-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,20,21)(H,17,18,19).
What are the key properties of N-benzyl-5-methylsulfonyl-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
N-benzyl-5-methylsulfonyl-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 345.43 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-methylsulfonyl-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 52951989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).