4-methyl-6-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(1H-pyrazol-4-ylamino)-3-pyridinyl]-1,3,5-triazin-2-amine

C18H24N10O2S — CID 59548300

IUPAC4-methyl-6-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(1H-pyrazol-4-ylamino)-3-pyridinyl]-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(-c2cc(CN3CCN(S(C)(=O)=O)CC3)cnc2Nc2cn[nH]c2)n1
InChIInChI=1S/C18H24N10O2S/c1-12-23-17(26-18(19)24-12)15-7-13(8-20-16(15)25-14-9-21-22-10-14)11-27-3-5-28(6-4-27)31(2,29)30/h7-10H,3-6,11H2,1-2H3,(H,20,25)(H,21,22)(H2,19,23,24,26)
InChIKeySQCKRZCGDROWOC-UHFFFAOYSA-N
MW444.53 g/mol
LogP0.37
Rot. Bonds6

About 4-methyl-6-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(1H-pyrazol-4-ylamino)-3-pyridinyl]-1,3,5-triazin-2-amine

4-methyl-6-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(1H-pyrazol-4-ylamino)-3-pyridinyl]-1,3,5-triazin-2-amine (PubChem CID 59548300) has the molecular formula C18H24N10O2S and a molecular weight of 444.53 g/mol. Its IUPAC name is 4-methyl-6-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(1H-pyrazol-4-ylamino)-3-pyridinyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(1H-pyrazol-4-ylamino)-3-pyridinyl]-1,3,5-triazin-2-amine
PubChem CID59548300
Molecular FormulaC18H24N10O2S
Molecular Weight444.53 g/mol
Exact Mass444.18
IUPAC Name4-methyl-6-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(1H-pyrazol-4-ylamino)-3-pyridinyl]-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(-c2cc(CN3CCN(S(C)(=O)=O)CC3)cnc2Nc2cn[nH]c2)n1
InChIInChI=1S/C18H24N10O2S/c1-12-23-17(26-18(19)24-12)15-7-13(8-20-16(15)25-14-9-21-22-10-14)11-27-3-5-28(6-4-27)31(2,29)30/h7-10H,3-6,11H2,1-2H3,(H,20,25)(H,21,22)(H2,19,23,24,26)
InChIKeySQCKRZCGDROWOC-UHFFFAOYSA-N
XLogP0.37
TPSA158.91 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(1H-pyrazol-4-ylamino)-3-pyridinyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-methyl-6-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(1H-pyrazol-4-ylamino)-3-pyridinyl]-1,3,5-triazin-2-amine (CID 59548300) is 4-methyl-6-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(1H-pyrazol-4-ylamino)-3-pyridinyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methyl-6-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(1H-pyrazol-4-ylamino)-3-pyridinyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methyl-6-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(1H-pyrazol-4-ylamino)-3-pyridinyl]-1,3,5-triazin-2-amine is Cc1nc(N)nc(-c2cc(CN3CCN(S(C)(=O)=O)CC3)cnc2Nc2cn[nH]c2)n1.
What is the InChIKey of 4-methyl-6-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(1H-pyrazol-4-ylamino)-3-pyridinyl]-1,3,5-triazin-2-amine?
The InChIKey is SQCKRZCGDROWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N10O2S/c1-12-23-17(26-18(19)24-12)15-7-13(8-20-16(15)25-14-9-21-22-10-14)11-27-3-5-28(6-4-27)31(2,29)30/h7-10H,3-6,11H2,1-2H3,(H,20,25)(H,21,22)(H2,19,23,24,26).
What are the key properties of 4-methyl-6-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(1H-pyrazol-4-ylamino)-3-pyridinyl]-1,3,5-triazin-2-amine?
4-methyl-6-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(1H-pyrazol-4-ylamino)-3-pyridinyl]-1,3,5-triazin-2-amine has a molecular weight of 444.53 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(1H-pyrazol-4-ylamino)-3-pyridinyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 59548300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).