5-[(2,6-dimethoxy-4-pyridinyl)methyl]pyrimidine-2,4-diamine

C12H15N5O2 — CID 3050136

IUPAC5-[(2,6-dimethoxy-4-pyridinyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(N)nc2N)cc(OC)n1
InChIInChI=1S/C12H15N5O2/c1-18-9-4-7(5-10(16-9)19-2)3-8-6-15-12(14)17-11(8)13/h4-6H,3H2,1-2H3,(H4,13,14,15,17)
InChIKeyIEACCMAATFZFEH-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.64
Rot. Bonds4

About 5-[(2,6-dimethoxy-4-pyridinyl)methyl]pyrimidine-2,4-diamine

5-[(2,6-dimethoxy-4-pyridinyl)methyl]pyrimidine-2,4-diamine (PubChem CID 3050136) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 5-[(2,6-dimethoxy-4-pyridinyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(2,6-dimethoxy-4-pyridinyl)methyl]pyrimidine-2,4-diamine
PubChem CID3050136
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name5-[(2,6-dimethoxy-4-pyridinyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(N)nc2N)cc(OC)n1
InChIInChI=1S/C12H15N5O2/c1-18-9-4-7(5-10(16-9)19-2)3-8-6-15-12(14)17-11(8)13/h4-6H,3H2,1-2H3,(H4,13,14,15,17)
InChIKeyIEACCMAATFZFEH-UHFFFAOYSA-N
XLogP0.64
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethoxy-4-pyridinyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(2,6-dimethoxy-4-pyridinyl)methyl]pyrimidine-2,4-diamine (CID 3050136) is 5-[(2,6-dimethoxy-4-pyridinyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(2,6-dimethoxy-4-pyridinyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(2,6-dimethoxy-4-pyridinyl)methyl]pyrimidine-2,4-diamine is COc1cc(Cc2cnc(N)nc2N)cc(OC)n1.
What is the InChIKey of 5-[(2,6-dimethoxy-4-pyridinyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is IEACCMAATFZFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-18-9-4-7(5-10(16-9)19-2)3-8-6-15-12(14)17-11(8)13/h4-6H,3H2,1-2H3,(H4,13,14,15,17).
What are the key properties of 5-[(2,6-dimethoxy-4-pyridinyl)methyl]pyrimidine-2,4-diamine?
5-[(2,6-dimethoxy-4-pyridinyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 261.29 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethoxy-4-pyridinyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 3050136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).