N-[(3-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine

C12H12N4S — CID 115372644

IUPACN-[(3-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1ccsc1CNc1ccn2nccc2n1
InChIInChI=1S/C12H12N4S/c1-9-4-7-17-10(9)8-13-11-3-6-16-12(15-11)2-5-14-16/h2-7H,8H2,1H3,(H,13,15)
InChIKeyBYXFLZXQJPJPOG-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.71
Rot. Bonds3

About N-[(3-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine

N-[(3-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 115372644) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID115372644
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1ccsc1CNc1ccn2nccc2n1
InChIInChI=1S/C12H12N4S/c1-9-4-7-17-10(9)8-13-11-3-6-16-12(15-11)2-5-14-16/h2-7H,8H2,1H3,(H,13,15)
InChIKeyBYXFLZXQJPJPOG-UHFFFAOYSA-N
XLogP2.71
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-but-3-ynylpyrazolo[1,5-a]pyrimidin-5-amine
CID 115372581
4-N-[(3-methylthiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80854631
N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 113296727
N-[(3-methylthiophen-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 34014390
5-methyl-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 112730229
N-[(5-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372443
N-(3-methoxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372504
2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 115749452
N-(5-chloro-2,2-dimethylpentyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 106142058
N-[(3-methylthiophen-2-yl)methyl]-2-pyrazol-1-ylpropanamide
CID 47163720
N-[2-(3-methylbutoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 113296697
2-tert-butyl-6-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
CID 80958954

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 115372644) is N-[(3-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine is Cc1ccsc1CNc1ccn2nccc2n1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is BYXFLZXQJPJPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-9-4-7-17-10(9)8-13-11-3-6-16-12(15-11)2-5-14-16/h2-7H,8H2,1H3,(H,13,15).
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine?
N-[(3-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 244.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 115372644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).