N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutan-1-amine

C13H20N4S — CID 115639318

IUPACN-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutan-1-amine
SMILESCSCCCCNCc1cnc2cc(C)nn2c1
InChIInChI=1S/C13H20N4S/c1-11-7-13-15-9-12(10-17(13)16-11)8-14-5-3-4-6-18-2/h7,9-10,14H,3-6,8H2,1-2H3
InChIKeyIMNGSQDAHPRKKI-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.27
Rot. Bonds7

About N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutan-1-amine

N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutan-1-amine (PubChem CID 115639318) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutan-1-amine
PubChem CID115639318
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutan-1-amine
SMILESCSCCCCNCc1cnc2cc(C)nn2c1
InChIInChI=1S/C13H20N4S/c1-11-7-13-15-9-12(10-17(13)16-11)8-14-5-3-4-6-18-2/h7,9-10,14H,3-6,8H2,1-2H3
InChIKeyIMNGSQDAHPRKKI-UHFFFAOYSA-N
XLogP2.27
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N',N'-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butane-1,4-diamine
CID 62406558
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]hex-5-yn-1-amine
CID 103757618
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-phenylsulfanylethanamine
CID 62404236
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-pyrazol-1-ylethanamine
CID 62405842
N,N-dimethyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
CID 55219703
2-(3-methylphenyl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 62403888
1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 62405500
2-(2,2-difluoroethoxy)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 103080968
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
CID 63784556
2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]acetamide
CID 62404238
N-butan-2-yl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
CID 62405672
N'-cyclopentyl-N'-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethane-1,2-diamine
CID 63379377

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutan-1-amine?
The IUPAC name of N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutan-1-amine (CID 115639318) is N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutan-1-amine.
What is the SMILES notation for N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutan-1-amine?
The canonical SMILES for N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutan-1-amine is CSCCCCNCc1cnc2cc(C)nn2c1.
What is the InChIKey of N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutan-1-amine?
The InChIKey is IMNGSQDAHPRKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-11-7-13-15-9-12(10-17(13)16-11)8-14-5-3-4-6-18-2/h7,9-10,14H,3-6,8H2,1-2H3.
What are the key properties of N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutan-1-amine?
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutan-1-amine has a molecular weight of 264.40 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutan-1-amine is sourced from PubChem (CID 115639318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).