5-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]-4-(5-methylsulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)pyrimidin-2-amine

C24H30N6O3S — CID 155522970

IUPAC5-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]-4-(5-methylsulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)pyrimidin-2-amine
SMILESCc1cnc(Nc2cccc(N3CCN(C)CC3)c2)nc1-c1cc2c(o1)CCN(S(C)(=O)=O)C2
InChIInChI=1S/C24H30N6O3S/c1-17-15-25-24(26-19-5-4-6-20(14-19)29-11-9-28(2)10-12-29)27-23(17)22-13-18-16-30(34(3,31)32)8-7-21(18)33-22/h4-6,13-15H,7-12,16H2,1-3H3,(H,25,26,27)
InChIKeyYQAGAYWGILVQCL-UHFFFAOYSA-N
MW482.61 g/mol
LogP2.86
Rot. Bonds5

About 5-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]-4-(5-methylsulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)pyrimidin-2-amine

5-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]-4-(5-methylsulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)pyrimidin-2-amine (PubChem CID 155522970) has the molecular formula C24H30N6O3S and a molecular weight of 482.61 g/mol. Its IUPAC name is 5-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]-4-(5-methylsulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]-4-(5-methylsulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)pyrimidin-2-amine
PubChem CID155522970
Molecular FormulaC24H30N6O3S
Molecular Weight482.61 g/mol
Exact Mass482.21
IUPAC Name5-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]-4-(5-methylsulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)pyrimidin-2-amine
SMILESCc1cnc(Nc2cccc(N3CCN(C)CC3)c2)nc1-c1cc2c(o1)CCN(S(C)(=O)=O)C2
InChIInChI=1S/C24H30N6O3S/c1-17-15-25-24(26-19-5-4-6-20(14-19)29-11-9-28(2)10-12-29)27-23(17)22-13-18-16-30(34(3,31)32)8-7-21(18)33-22/h4-6,13-15H,7-12,16H2,1-3H3,(H,25,26,27)
InChIKeyYQAGAYWGILVQCL-UHFFFAOYSA-N
XLogP2.86
TPSA94.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]-4-(5-methylsulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]-4-(5-methylsulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]-4-(5-methylsulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)pyrimidin-2-amine (CID 155522970) is 5-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]-4-(5-methylsulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]-4-(5-methylsulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]-4-(5-methylsulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)pyrimidin-2-amine is Cc1cnc(Nc2cccc(N3CCN(C)CC3)c2)nc1-c1cc2c(o1)CCN(S(C)(=O)=O)C2.
What is the InChIKey of 5-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]-4-(5-methylsulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)pyrimidin-2-amine?
The InChIKey is YQAGAYWGILVQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3S/c1-17-15-25-24(26-19-5-4-6-20(14-19)29-11-9-28(2)10-12-29)27-23(17)22-13-18-16-30(34(3,31)32)8-7-21(18)33-22/h4-6,13-15H,7-12,16H2,1-3H3,(H,25,26,27).
What are the key properties of 5-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]-4-(5-methylsulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)pyrimidin-2-amine?
5-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]-4-(5-methylsulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)pyrimidin-2-amine has a molecular weight of 482.61 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]-4-(5-methylsulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 155522970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).