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

C14H13Cl2N5 — CID 11324720

IUPAC4-chloro-7-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1cnc(Cn2ccc3c(Cl)nc(N)nc32)c(C)c1Cl
InChIInChI=1S/C14H13Cl2N5/c1-7-5-18-10(8(2)11(7)15)6-21-4-3-9-12(16)19-14(17)20-13(9)21/h3-5H,6H2,1-2H3,(H2,17,19,20)
InChIKeyUTYKALJIQPGPEY-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.38
Rot. Bonds2

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

4-chloro-7-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 11324720) has the molecular formula C14H13Cl2N5 and a molecular weight of 322.20 g/mol. Its IUPAC name is 4-chloro-7-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-7-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID11324720
Molecular FormulaC14H13Cl2N5
Molecular Weight322.20 g/mol
Exact Mass321.05
IUPAC Name4-chloro-7-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1cnc(Cn2ccc3c(Cl)nc(N)nc32)c(C)c1Cl
InChIInChI=1S/C14H13Cl2N5/c1-7-5-18-10(8(2)11(7)15)6-21-4-3-9-12(16)19-14(17)20-13(9)21/h3-5H,6H2,1-2H3,(H2,17,19,20)
InChIKeyUTYKALJIQPGPEY-UHFFFAOYSA-N
XLogP3.38
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-7-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine (CID 11324720) is 4-chloro-7-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-7-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-7-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine is Cc1cnc(Cn2ccc3c(Cl)nc(N)nc32)c(C)c1Cl.
What is the InChIKey of 4-chloro-7-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is UTYKALJIQPGPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N5/c1-7-5-18-10(8(2)11(7)15)6-21-4-3-9-12(16)19-14(17)20-13(9)21/h3-5H,6H2,1-2H3,(H2,17,19,20).
What are the key properties of 4-chloro-7-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?
4-chloro-7-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 322.20 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 11324720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).