2-[4-(methylamino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanylhexanamide

C18H22N6OS — CID 10248600

IUPAC2-[4-(methylamino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanylhexanamide
SMILESCCCCC(Sc1nc(NC)c2cnn(-c3ccccc3)c2n1)C(N)=O
InChIInChI=1S/C18H22N6OS/c1-3-4-10-14(15(19)25)26-18-22-16(20-2)13-11-21-24(17(13)23-18)12-8-6-5-7-9-12/h5-9,11,14H,3-4,10H2,1-2H3,(H2,19,25)(H,20,22,23)
InChIKeyMEUJEXCPMKJKPI-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.99
Rot. Bonds8

About 2-[4-(methylamino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanylhexanamide

2-[4-(methylamino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanylhexanamide (PubChem CID 10248600) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-[4-(methylamino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanylhexanamide.

Molecular Properties

Compound Name2-[4-(methylamino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanylhexanamide
PubChem CID10248600
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC Name2-[4-(methylamino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanylhexanamide
SMILESCCCCC(Sc1nc(NC)c2cnn(-c3ccccc3)c2n1)C(N)=O
InChIInChI=1S/C18H22N6OS/c1-3-4-10-14(15(19)25)26-18-22-16(20-2)13-11-21-24(17(13)23-18)12-8-6-5-7-9-12/h5-9,11,14H,3-4,10H2,1-2H3,(H2,19,25)(H,20,22,23)
InChIKeyMEUJEXCPMKJKPI-UHFFFAOYSA-N
XLogP2.99
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanylhexanamide?
The IUPAC name of 2-[4-(methylamino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanylhexanamide (CID 10248600) is 2-[4-(methylamino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanylhexanamide.
What is the SMILES notation for 2-[4-(methylamino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanylhexanamide?
The canonical SMILES for 2-[4-(methylamino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanylhexanamide is CCCCC(Sc1nc(NC)c2cnn(-c3ccccc3)c2n1)C(N)=O.
What is the InChIKey of 2-[4-(methylamino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanylhexanamide?
The InChIKey is MEUJEXCPMKJKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-3-4-10-14(15(19)25)26-18-22-16(20-2)13-11-21-24(17(13)23-18)12-8-6-5-7-9-12/h5-9,11,14H,3-4,10H2,1-2H3,(H2,19,25)(H,20,22,23).
What are the key properties of 2-[4-(methylamino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanylhexanamide?
2-[4-(methylamino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanylhexanamide has a molecular weight of 370.48 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanylhexanamide is sourced from PubChem (CID 10248600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).