5-chloro-N-(3-chloro-1-cyclopropylpyrazol-4-yl)-7-ethylpyrrolo[2,3-d]pyrimidin-2-amine

C14H14Cl2N6 — CID 138710573

IUPAC5-chloro-N-(3-chloro-1-cyclopropylpyrazol-4-yl)-7-ethylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCn1cc(Cl)c2cnc(Nc3cn(C4CC4)nc3Cl)nc21
InChIInChI=1S/C14H14Cl2N6/c1-2-21-6-10(15)9-5-17-14(19-13(9)21)18-11-7-22(8-3-4-8)20-12(11)16/h5-8H,2-4H2,1H3,(H,17,18,19)
InChIKeyKUFAAROCAWYSIX-UHFFFAOYSA-N
MW337.21 g/mol
LogP4.03
Rot. Bonds4

About 5-chloro-N-(3-chloro-1-cyclopropylpyrazol-4-yl)-7-ethylpyrrolo[2,3-d]pyrimidin-2-amine

5-chloro-N-(3-chloro-1-cyclopropylpyrazol-4-yl)-7-ethylpyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 138710573) has the molecular formula C14H14Cl2N6 and a molecular weight of 337.21 g/mol. Its IUPAC name is 5-chloro-N-(3-chloro-1-cyclopropylpyrazol-4-yl)-7-ethylpyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3-chloro-1-cyclopropylpyrazol-4-yl)-7-ethylpyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID138710573
Molecular FormulaC14H14Cl2N6
Molecular Weight337.21 g/mol
Exact Mass336.07
IUPAC Name5-chloro-N-(3-chloro-1-cyclopropylpyrazol-4-yl)-7-ethylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCn1cc(Cl)c2cnc(Nc3cn(C4CC4)nc3Cl)nc21
InChIInChI=1S/C14H14Cl2N6/c1-2-21-6-10(15)9-5-17-14(19-13(9)21)18-11-7-22(8-3-4-8)20-12(11)16/h5-8H,2-4H2,1H3,(H,17,18,19)
InChIKeyKUFAAROCAWYSIX-UHFFFAOYSA-N
XLogP4.03
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[3-chloro-4-[(5-chloro-7-ethylpyrrolo[2,3-d]pyrimidin-2-yl)amino]pyrazol-1-yl]piperidin-1-yl]-cyclopropylmethanone
CID 138710500
[(3R)-3-[3-chloro-4-[(5-chloro-7-ethylpyrrolo[2,3-d]pyrimidin-2-yl)amino]pyrazol-1-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 138710508
5-chloro-N-[3-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-7-ethylpyrrolo[2,3-d]pyrimidin-2-amine
CID 138711071
5-chloro-N-[3-chloro-1-(1-methylsulfonylazepan-4-yl)pyrazol-4-yl]-7-methylpyrrolo[2,3-d]pyrimidin-2-amine
CID 165098636
[3-[3-chloro-4-[(3-chloro-1-ethylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrazol-1-yl]azetidin-1-yl]-cyclopropylmethanone
CID 138710565
5-chloro-7-methyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 163700363
3-chloro-N-[3-chloro-1-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1-methylpyrazolo[3,4-d]pyrimidin-6-amine
CID 165008450
[4-[3-chloro-4-[(5-chloro-7-ethylpyrrolo[2,3-d]pyrimidin-2-yl)amino]pyrazol-1-yl]azepan-1-yl]-cyclopropylmethanone;3-chloro-N-[3-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-1-methylpyrazolo[3,4-d]pyrimidin-6-amine;3-chloro-N-[5-chloro-1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-1-methylpyrazolo[3,4-d]pyrimidin-6-amine
CID 164975065
5-chloro-N-(3-chloro-1-propan-2-ylpyrazol-4-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
CID 138711064
5-chloro-7-methyl-N-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 138710551
2-N-[3-chloro-1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]pyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 140943343
(E)-3-amino-2-[(5-chloro-7-ethylpyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]prop-2-enimidoyl chloride
CID 166853685

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chloro-1-cyclopropylpyrazol-4-yl)-7-ethylpyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(3-chloro-1-cyclopropylpyrazol-4-yl)-7-ethylpyrrolo[2,3-d]pyrimidin-2-amine (CID 138710573) is 5-chloro-N-(3-chloro-1-cyclopropylpyrazol-4-yl)-7-ethylpyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(3-chloro-1-cyclopropylpyrazol-4-yl)-7-ethylpyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(3-chloro-1-cyclopropylpyrazol-4-yl)-7-ethylpyrrolo[2,3-d]pyrimidin-2-amine is CCn1cc(Cl)c2cnc(Nc3cn(C4CC4)nc3Cl)nc21.
What is the InChIKey of 5-chloro-N-(3-chloro-1-cyclopropylpyrazol-4-yl)-7-ethylpyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is KUFAAROCAWYSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N6/c1-2-21-6-10(15)9-5-17-14(19-13(9)21)18-11-7-22(8-3-4-8)20-12(11)16/h5-8H,2-4H2,1H3,(H,17,18,19).
What are the key properties of 5-chloro-N-(3-chloro-1-cyclopropylpyrazol-4-yl)-7-ethylpyrrolo[2,3-d]pyrimidin-2-amine?
5-chloro-N-(3-chloro-1-cyclopropylpyrazol-4-yl)-7-ethylpyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 337.21 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chloro-1-cyclopropylpyrazol-4-yl)-7-ethylpyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 138710573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).