5-chloro-7-methyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine

C16H19ClN6O — CID 163700363

IUPAC5-chloro-7-methyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1nn(C2CCOCC2)cc1Nc1ncc2c(Cl)cn(C)c2n1
InChIInChI=1S/C16H19ClN6O/c1-10-14(9-23(21-10)11-3-5-24-6-4-11)19-16-18-7-12-13(17)8-22(2)15(12)20-16/h7-9,11H,3-6H2,1-2H3,(H,18,19,20)
InChIKeyKALQPPRBMLHYQV-UHFFFAOYSA-N
MW346.82 g/mol
LogP3.22
Rot. Bonds3

About 5-chloro-7-methyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine

5-chloro-7-methyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 163700363) has the molecular formula C16H19ClN6O and a molecular weight of 346.82 g/mol. Its IUPAC name is 5-chloro-7-methyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-7-methyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID163700363
Molecular FormulaC16H19ClN6O
Molecular Weight346.82 g/mol
Exact Mass346.13
IUPAC Name5-chloro-7-methyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1nn(C2CCOCC2)cc1Nc1ncc2c(Cl)cn(C)c2n1
InChIInChI=1S/C16H19ClN6O/c1-10-14(9-23(21-10)11-3-5-24-6-4-11)19-16-18-7-12-13(17)8-22(2)15(12)20-16/h7-9,11H,3-6H2,1-2H3,(H,18,19,20)
InChIKeyKALQPPRBMLHYQV-UHFFFAOYSA-N
XLogP3.22
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-chloro-7-methyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine with MolForge

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Related Compounds

5-chloro-N-[3-chloro-1-(1-methylsulfonylazepan-4-yl)pyrazol-4-yl]-7-methylpyrrolo[2,3-d]pyrimidin-2-amine
CID 165098636
5-chloro-N-(3-chloro-1-cyclopropylpyrazol-4-yl)-7-ethylpyrrolo[2,3-d]pyrimidin-2-amine
CID 138710573
5-chloro-4-N-methyl-2-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrimidine-2,4-diamine;4-N-methyl-2-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 162163885
4-N-methyl-2-N-[3-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69092000
3-chloro-N-[3-chloro-1-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1-methylpyrazolo[3,4-d]pyrimidin-6-amine
CID 165008450
5-chloro-7-methyl-N-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 138710551
[4-[3-chloro-4-[(5-chloro-7-ethylpyrrolo[2,3-d]pyrimidin-2-yl)amino]pyrazol-1-yl]piperidin-1-yl]-cyclopropylmethanone
CID 138710500
4-N-methyl-2-N-[3-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidine-2,4,5-triamine
CID 69281601
4-[3-[[5-chloro-2-[[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]-6,6-dimethyl-1,4-oxazepan-5-one
CID 155270562
5-methyl-4-[[3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyridine-2-carbonitrile
CID 155365271
3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 155365359
6-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine;7-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-amine;N-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 167682373

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 5-chloro-7-methyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine (CID 163700363) is 5-chloro-7-methyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-7-methyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-7-methyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine is Cc1nn(C2CCOCC2)cc1Nc1ncc2c(Cl)cn(C)c2n1.
What is the InChIKey of 5-chloro-7-methyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is KALQPPRBMLHYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6O/c1-10-14(9-23(21-10)11-3-5-24-6-4-11)19-16-18-7-12-13(17)8-22(2)15(12)20-16/h7-9,11H,3-6H2,1-2H3,(H,18,19,20).
What are the key properties of 5-chloro-7-methyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine?
5-chloro-7-methyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 346.82 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 163700363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).