5-methyl-N-(1-methylsulfonylazetidin-3-yl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine

C17H24N6O3S — CID 160959661

IUPAC5-methyl-N-(1-methylsulfonylazetidin-3-yl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
SMILESCc1cnc(NC2CN(S(C)(=O)=O)C2)nc1-c1cnn(C2CCOCC2)c1
InChIInChI=1S/C17H24N6O3S/c1-12-7-18-17(20-14-10-22(11-14)27(2,24)25)21-16(12)13-8-19-23(9-13)15-3-5-26-6-4-15/h7-9,14-15H,3-6,10-11H2,1-2H3,(H,18,20,21)
InChIKeySWVQXESCXJQREZ-UHFFFAOYSA-N
MW392.49 g/mol
LogP1.06
Rot. Bonds5

About 5-methyl-N-(1-methylsulfonylazetidin-3-yl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine

5-methyl-N-(1-methylsulfonylazetidin-3-yl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 160959661) has the molecular formula C17H24N6O3S and a molecular weight of 392.49 g/mol. Its IUPAC name is 5-methyl-N-(1-methylsulfonylazetidin-3-yl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-(1-methylsulfonylazetidin-3-yl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
PubChem CID160959661
Molecular FormulaC17H24N6O3S
Molecular Weight392.49 g/mol
Exact Mass392.16
IUPAC Name5-methyl-N-(1-methylsulfonylazetidin-3-yl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
SMILESCc1cnc(NC2CN(S(C)(=O)=O)C2)nc1-c1cnn(C2CCOCC2)c1
InChIInChI=1S/C17H24N6O3S/c1-12-7-18-17(20-14-10-22(11-14)27(2,24)25)21-16(12)13-8-19-23(9-13)15-3-5-26-6-4-15/h7-9,14-15H,3-6,10-11H2,1-2H3,(H,18,20,21)
InChIKeySWVQXESCXJQREZ-UHFFFAOYSA-N
XLogP1.06
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-methyl-4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine
CID 160795123
4-[1-(3-amino-3-methylcyclobutyl)pyrazol-4-yl]-5-methyl-N-(1-propan-2-ylsulfonylpiperidin-4-yl)pyrimidin-2-amine
CID 161030749
4-(6-chloro-3-pyridinyl)-5-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 155203798
methyl 1-iodosulfanyl-4-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]pyrrole-2-carboxylate
CID 135139408
[2,6-dimethyl-4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]methanol
CID 172876873
N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide
CID 71810286
5-chloro-N-(2-methoxyphenyl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 174053483
9-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-8-(oxolan-3-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
CID 155253506
3-methyl-5-[5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]imidazole-4-carbonitrile
CID 158896200
1-[4-[2-[[(3R,4S)-1-cyclopropylsulfonyl-3-methylpiperidin-4-yl]amino]-5-methylpyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 160834205
5-hydroxy-1-[4-[[4-[1-(oxan-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-2-one
CID 178013110
3-hydroxy-4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2-carboxylic acid
CID 175581630

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-methylsulfonylazetidin-3-yl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-(1-methylsulfonylazetidin-3-yl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine (CID 160959661) is 5-methyl-N-(1-methylsulfonylazetidin-3-yl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-(1-methylsulfonylazetidin-3-yl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-(1-methylsulfonylazetidin-3-yl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine is Cc1cnc(NC2CN(S(C)(=O)=O)C2)nc1-c1cnn(C2CCOCC2)c1.
What is the InChIKey of 5-methyl-N-(1-methylsulfonylazetidin-3-yl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is SWVQXESCXJQREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3S/c1-12-7-18-17(20-14-10-22(11-14)27(2,24)25)21-16(12)13-8-19-23(9-13)15-3-5-26-6-4-15/h7-9,14-15H,3-6,10-11H2,1-2H3,(H,18,20,21).
What are the key properties of 5-methyl-N-(1-methylsulfonylazetidin-3-yl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine?
5-methyl-N-(1-methylsulfonylazetidin-3-yl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 392.49 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-methylsulfonylazetidin-3-yl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 160959661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).