5-chloro-N-(3-chloro-1-propan-2-ylpyrazol-4-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine

C15H18Cl2N6 — CID 138711064

IUPAC5-chloro-N-(3-chloro-1-propan-2-ylpyrazol-4-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCC(C)n1cc(Nc2ncc3c(Cl)cn(C(C)C)c3n2)c(Cl)n1
InChIInChI=1S/C15H18Cl2N6/c1-8(2)22-6-11(16)10-5-18-15(20-14(10)22)19-12-7-23(9(3)4)21-13(12)17/h5-9H,1-4H3,(H,18,19,20)
InChIKeyPKBPRWFOSGQBET-UHFFFAOYSA-N
MW353.26 g/mol
LogP4.84
Rot. Bonds4

About 5-chloro-N-(3-chloro-1-propan-2-ylpyrazol-4-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine

5-chloro-N-(3-chloro-1-propan-2-ylpyrazol-4-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 138711064) has the molecular formula C15H18Cl2N6 and a molecular weight of 353.26 g/mol. Its IUPAC name is 5-chloro-N-(3-chloro-1-propan-2-ylpyrazol-4-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3-chloro-1-propan-2-ylpyrazol-4-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID138711064
Molecular FormulaC15H18Cl2N6
Molecular Weight353.26 g/mol
Exact Mass352.10
IUPAC Name5-chloro-N-(3-chloro-1-propan-2-ylpyrazol-4-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCC(C)n1cc(Nc2ncc3c(Cl)cn(C(C)C)c3n2)c(Cl)n1
InChIInChI=1S/C15H18Cl2N6/c1-8(2)22-6-11(16)10-5-18-15(20-14(10)22)19-12-7-23(9(3)4)21-13(12)17/h5-9H,1-4H3,(H,18,19,20)
InChIKeyPKBPRWFOSGQBET-UHFFFAOYSA-N
XLogP4.84
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-7-methyl-N-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 138710551
5-chloro-N-(3-chloro-1-cyclopropylpyrazol-4-yl)-7-ethylpyrrolo[2,3-d]pyrimidin-2-amine
CID 138710573
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
[4-[3-chloro-4-[(5-chloro-7-ethylpyrrolo[2,3-d]pyrimidin-2-yl)amino]pyrazol-1-yl]piperidin-1-yl]-cyclopropylmethanone
CID 138710500
[2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-7H-purin-6-yl]-(1-cyclopropylethyl)-methylazanium
CID 163988858
5-chloro-7-methyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 163700363
5-bromo-N-(3-chloro-1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 126505088
[(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
[3-[3-chloro-4-[(3-chloro-1-ethylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrazol-1-yl]azetidin-1-yl]-cyclopropylmethanone
CID 138710565
3-chloro-N-[3-chloro-1-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1-methylpyrazolo[3,4-d]pyrimidin-6-amine
CID 165008450
4-chloro-7-fluoro-2-propan-2-ylpyrazolo[4,3-c]pyridine
CID 175943862

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chloro-1-propan-2-ylpyrazol-4-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(3-chloro-1-propan-2-ylpyrazol-4-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine (CID 138711064) is 5-chloro-N-(3-chloro-1-propan-2-ylpyrazol-4-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(3-chloro-1-propan-2-ylpyrazol-4-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(3-chloro-1-propan-2-ylpyrazol-4-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine is CC(C)n1cc(Nc2ncc3c(Cl)cn(C(C)C)c3n2)c(Cl)n1.
What is the InChIKey of 5-chloro-N-(3-chloro-1-propan-2-ylpyrazol-4-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is PKBPRWFOSGQBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N6/c1-8(2)22-6-11(16)10-5-18-15(20-14(10)22)19-12-7-23(9(3)4)21-13(12)17/h5-9H,1-4H3,(H,18,19,20).
What are the key properties of 5-chloro-N-(3-chloro-1-propan-2-ylpyrazol-4-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
5-chloro-N-(3-chloro-1-propan-2-ylpyrazol-4-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 353.26 g/mol, XLogP of 4.84, 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-propan-2-ylpyrazol-4-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 138711064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).