N-(2-methylsulfonylethyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine

C15H15N5O2S — CID 135368573

IUPACN-(2-methylsulfonylethyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESCS(=O)(=O)CCNc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C15H15N5O2S/c1-23(21,22)9-8-18-15-12-4-7-17-10-13(12)19-14(20-15)11-2-5-16-6-3-11/h2-7,10H,8-9H2,1H3,(H,18,19,20)
InChIKeyJMKUYEUELMQPJK-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.54
Rot. Bonds5

About N-(2-methylsulfonylethyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine

N-(2-methylsulfonylethyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 135368573) has the molecular formula C15H15N5O2S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID135368573
Molecular FormulaC15H15N5O2S
Molecular Weight329.38 g/mol
Exact Mass329.09
IUPAC NameN-(2-methylsulfonylethyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESCS(=O)(=O)CCNc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C15H15N5O2S/c1-23(21,22)9-8-18-15-12-4-7-17-10-13(12)19-14(20-15)11-2-5-16-6-3-11/h2-7,10H,8-9H2,1H3,(H,18,19,20)
InChIKeyJMKUYEUELMQPJK-UHFFFAOYSA-N
XLogP1.54
TPSA97.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}ethene-1-sulfonamide
CID 5329093
4-Anilinopyrido[3,4-d]pyrimidine 35
CID 5329096
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
6-N-methyl-4-N-phenylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328264
N-benzylpyrido[3,2-d]pyrimidin-4-amine
CID 5328272
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6b
CID 5328345
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6c
CID 5328346
N~2~-[2-Methyl-2-(Methylsulfonyl)propyl]-N~4~-[2-Methyl-1-(Propan-2-Yl)-1h-Imidazo[4,5-C]pyridin-6-Yl]pyrimidine-2,4-Diamine
CID 90183696
2-Methyl-N-{2-[4-(Methylsulfonyl)piperidin-1-Yl]pyrimidin-4-Yl}-1-(Propan-2-Yl)-1h-Imidazo[4,5-C]pyridin-6-Amine
CID 91971390
example 320 [WO2018198077A2]
CID 135390649

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2-methylsulfonylethyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine (CID 135368573) is N-(2-methylsulfonylethyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methylsulfonylethyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-methylsulfonylethyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine is CS(=O)(=O)CCNc1nc(-c2ccncc2)nc2cnccc12.
What is the InChIKey of N-(2-methylsulfonylethyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is JMKUYEUELMQPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-23(21,22)9-8-18-15-12-4-7-17-10-13(12)19-14(20-15)11-2-5-16-6-3-11/h2-7,10H,8-9H2,1H3,(H,18,19,20).
What are the key properties of N-(2-methylsulfonylethyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
N-(2-methylsulfonylethyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 329.38 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 135368573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).