4-chloro-N-(3-methoxy-1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C11H11ClN6O — CID 141412017

IUPAC4-chloro-N-(3-methoxy-1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1nn(C)cc1Nc1nc(Cl)c2cc[nH]c2n1
InChIInChI=1S/C11H11ClN6O/c1-18-5-7(10(17-18)19-2)14-11-15-8(12)6-3-4-13-9(6)16-11/h3-5H,1-2H3,(H2,13,14,15,16)
InChIKeyOUFZXPMXIWZXHZ-UHFFFAOYSA-N
MW278.70 g/mol
LogP2.10
Rot. Bonds3

About 4-chloro-N-(3-methoxy-1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine

4-chloro-N-(3-methoxy-1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 141412017) has the molecular formula C11H11ClN6O and a molecular weight of 278.70 g/mol. Its IUPAC name is 4-chloro-N-(3-methoxy-1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3-methoxy-1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID141412017
Molecular FormulaC11H11ClN6O
Molecular Weight278.70 g/mol
Exact Mass278.07
IUPAC Name4-chloro-N-(3-methoxy-1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1nn(C)cc1Nc1nc(Cl)c2cc[nH]c2n1
InChIInChI=1S/C11H11ClN6O/c1-18-5-7(10(17-18)19-2)14-11-15-8(12)6-3-4-13-9(6)16-11/h3-5H,1-2H3,(H2,13,14,15,16)
InChIKeyOUFZXPMXIWZXHZ-UHFFFAOYSA-N
XLogP2.10
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 140943330
5-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 126505481
3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-methyl-1H-indol-7-amine
CID 167088857
N-[5-chloro-1-(oxetan-3-yl)pyrazol-4-yl]-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 118289013
N-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]propanamide
CID 126735520
3-(3-chloro-2-methoxyanilino)-2-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 171399022
2-bromo-N-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]propanamide
CID 126720790
4-chloro-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
CID 5324414
4-[7-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-3-yl]-N-(3-methoxy-1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 156758557
2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methyl-1H-pyrimidin-6-one
CID 146497745
(2R)-N-[3-[5-chloro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 170150654
N-(3-ethoxy-1-methylpyrazol-4-yl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[3,2-b]pyridin-7-amine
CID 146497680

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methoxy-1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-(3-methoxy-1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 141412017) is 4-chloro-N-(3-methoxy-1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-(3-methoxy-1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-(3-methoxy-1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is COc1nn(C)cc1Nc1nc(Cl)c2cc[nH]c2n1.
What is the InChIKey of 4-chloro-N-(3-methoxy-1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is OUFZXPMXIWZXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN6O/c1-18-5-7(10(17-18)19-2)14-11-15-8(12)6-3-4-13-9(6)16-11/h3-5H,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-chloro-N-(3-methoxy-1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-chloro-N-(3-methoxy-1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 278.70 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methoxy-1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 141412017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).