7-[(6-chloro-4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-propylpyrrolo[2,3-d]pyrimidin-2-amine

C18H22ClN5O — CID 89371688

IUPAC7-[(6-chloro-4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-propylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCCc1nc(N)nc2c1ccn2Cc1nc(Cl)c(C)c(OC)c1C
InChIInChI=1S/C18H22ClN5O/c1-5-6-13-12-7-8-24(17(12)23-18(20)22-13)9-14-10(2)15(25-4)11(3)16(19)21-14/h7-8H,5-6,9H2,1-4H3,(H2,20,22,23)
InChIKeyNFXPLXIOEQVYSL-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.69
Rot. Bonds5

About 7-[(6-chloro-4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-propylpyrrolo[2,3-d]pyrimidin-2-amine

7-[(6-chloro-4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-propylpyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 89371688) has the molecular formula C18H22ClN5O and a molecular weight of 359.86 g/mol. Its IUPAC name is 7-[(6-chloro-4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-propylpyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-[(6-chloro-4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-propylpyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID89371688
Molecular FormulaC18H22ClN5O
Molecular Weight359.86 g/mol
Exact Mass359.15
IUPAC Name7-[(6-chloro-4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-propylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCCc1nc(N)nc2c1ccn2Cc1nc(Cl)c(C)c(OC)c1C
InChIInChI=1S/C18H22ClN5O/c1-5-6-13-12-7-8-24(17(12)23-18(20)22-13)9-14-10(2)15(25-4)11(3)16(19)21-14/h7-8H,5-6,9H2,1-4H3,(H2,20,22,23)
InChIKeyNFXPLXIOEQVYSL-UHFFFAOYSA-N
XLogP3.69
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(6-chloro-4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-propylpyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-[(6-chloro-4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-propylpyrrolo[2,3-d]pyrimidin-2-amine (CID 89371688) is 7-[(6-chloro-4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-propylpyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-[(6-chloro-4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-propylpyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-[(6-chloro-4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-propylpyrrolo[2,3-d]pyrimidin-2-amine is CCCc1nc(N)nc2c1ccn2Cc1nc(Cl)c(C)c(OC)c1C.
What is the InChIKey of 7-[(6-chloro-4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-propylpyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is NFXPLXIOEQVYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O/c1-5-6-13-12-7-8-24(17(12)23-18(20)22-13)9-14-10(2)15(25-4)11(3)16(19)21-14/h7-8H,5-6,9H2,1-4H3,(H2,20,22,23).
What are the key properties of 7-[(6-chloro-4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-propylpyrrolo[2,3-d]pyrimidin-2-amine?
7-[(6-chloro-4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-propylpyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 359.86 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-chloro-4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-propylpyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 89371688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).