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

C15H16ClN5O — CID 11301568

IUPAC4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1c(C)ncc(Cn2ccc3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C15H16ClN5O/c1-8-10(6-18-9(2)12(8)22-3)7-21-5-4-11-13(16)19-15(17)20-14(11)21/h4-6H,7H2,1-3H3,(H2,17,19,20)
InChIKeyCDAAPPUWLVVLPR-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.74
Rot. Bonds3

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

4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 11301568) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is 4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID11301568
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC Name4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1c(C)ncc(Cn2ccc3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C15H16ClN5O/c1-8-10(6-18-9(2)12(8)22-3)7-21-5-4-11-13(16)19-15(17)20-14(11)21/h4-6H,7H2,1-3H3,(H2,17,19,20)
InChIKeyCDAAPPUWLVVLPR-UHFFFAOYSA-N
XLogP2.74
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine (CID 11301568) is 4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine is COc1c(C)ncc(Cn2ccc3c(Cl)nc(N)nc32)c1C.
What is the InChIKey of 4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is CDAAPPUWLVVLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/c1-8-10(6-18-9(2)12(8)22-3)7-21-5-4-11-13(16)19-15(17)20-14(11)21/h4-6H,7H2,1-3H3,(H2,17,19,20).
What are the key properties of 4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?
4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 317.78 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 11301568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).