N-methyl-6-methylsulfonyl-2-pyridin-4-yl-N-(2-pyridin-2-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C21H24N6O2S — CID 71461281

IUPACN-methyl-6-methylsulfonyl-2-pyridin-4-yl-N-(2-pyridin-2-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCN(CCc1ccccn1)c1nc(-c2ccncc2)nc2c1CN(S(C)(=O)=O)CC2
InChIInChI=1S/C21H24N6O2S/c1-26(13-8-17-5-3-4-10-23-17)21-18-15-27(30(2,28)29)14-9-19(18)24-20(25-21)16-6-11-22-12-7-16/h3-7,10-12H,8-9,13-15H2,1-2H3
InChIKeySLEBDUYGPBGTTR-UHFFFAOYSA-N
MW424.53 g/mol
LogP1.93
Rot. Bonds6

About N-methyl-6-methylsulfonyl-2-pyridin-4-yl-N-(2-pyridin-2-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

N-methyl-6-methylsulfonyl-2-pyridin-4-yl-N-(2-pyridin-2-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 71461281) has the molecular formula C21H24N6O2S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-methyl-6-methylsulfonyl-2-pyridin-4-yl-N-(2-pyridin-2-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-methylsulfonyl-2-pyridin-4-yl-N-(2-pyridin-2-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID71461281
Molecular FormulaC21H24N6O2S
Molecular Weight424.53 g/mol
Exact Mass424.17
IUPAC NameN-methyl-6-methylsulfonyl-2-pyridin-4-yl-N-(2-pyridin-2-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCN(CCc1ccccn1)c1nc(-c2ccncc2)nc2c1CN(S(C)(=O)=O)CC2
InChIInChI=1S/C21H24N6O2S/c1-26(13-8-17-5-3-4-10-23-17)21-18-15-27(30(2,28)29)14-9-19(18)24-20(25-21)16-6-11-22-12-7-16/h3-7,10-12H,8-9,13-15H2,1-2H3
InChIKeySLEBDUYGPBGTTR-UHFFFAOYSA-N
XLogP1.93
TPSA92.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-methylsulfonyl-2-pyridin-4-yl-N-(2-pyridin-2-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-6-methylsulfonyl-2-pyridin-4-yl-N-(2-pyridin-2-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 71461281) is N-methyl-6-methylsulfonyl-2-pyridin-4-yl-N-(2-pyridin-2-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-methylsulfonyl-2-pyridin-4-yl-N-(2-pyridin-2-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-methylsulfonyl-2-pyridin-4-yl-N-(2-pyridin-2-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is CN(CCc1ccccn1)c1nc(-c2ccncc2)nc2c1CN(S(C)(=O)=O)CC2.
What is the InChIKey of N-methyl-6-methylsulfonyl-2-pyridin-4-yl-N-(2-pyridin-2-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is SLEBDUYGPBGTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2S/c1-26(13-8-17-5-3-4-10-23-17)21-18-15-27(30(2,28)29)14-9-19(18)24-20(25-21)16-6-11-22-12-7-16/h3-7,10-12H,8-9,13-15H2,1-2H3.
What are the key properties of N-methyl-6-methylsulfonyl-2-pyridin-4-yl-N-(2-pyridin-2-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
N-methyl-6-methylsulfonyl-2-pyridin-4-yl-N-(2-pyridin-2-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 424.53 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-methylsulfonyl-2-pyridin-4-yl-N-(2-pyridin-2-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 71461281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).