N,1,3-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-amine

C17H18N8S — CID 70770379

IUPACN,1,3-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nnsc1CN(C)c1nc(-c2ccccn2)nc2c1c(C)nn2C
InChIInChI=1S/C17H18N8S/c1-10-13(26-23-21-10)9-24(3)16-14-11(2)22-25(4)17(14)20-15(19-16)12-7-5-6-8-18-12/h5-8H,9H2,1-4H3
InChIKeyQBBVLOWDRRCMHM-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.53
Rot. Bonds4

About N,1,3-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-amine

N,1,3-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 70770379) has the molecular formula C17H18N8S and a molecular weight of 366.45 g/mol. Its IUPAC name is N,1,3-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,1,3-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID70770379
Molecular FormulaC17H18N8S
Molecular Weight366.45 g/mol
Exact Mass366.14
IUPAC NameN,1,3-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nnsc1CN(C)c1nc(-c2ccccn2)nc2c1c(C)nn2C
InChIInChI=1S/C17H18N8S/c1-10-13(26-23-21-10)9-24(3)16-14-11(2)22-25(4)17(14)20-15(19-16)12-7-5-6-8-18-12/h5-8H,9H2,1-4H3
InChIKeyQBBVLOWDRRCMHM-UHFFFAOYSA-N
XLogP2.53
TPSA85.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N,1,3-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-amine (CID 70770379) is N,1,3-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,1,3-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N,1,3-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-amine is Cc1nnsc1CN(C)c1nc(-c2ccccn2)nc2c1c(C)nn2C.
What is the InChIKey of N,1,3-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is QBBVLOWDRRCMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8S/c1-10-13(26-23-21-10)9-24(3)16-14-11(2)22-25(4)17(14)20-15(19-16)12-7-5-6-8-18-12/h5-8H,9H2,1-4H3.
What are the key properties of N,1,3-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-amine?
N,1,3-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 366.45 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70770379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).