6-methoxy-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine

C11H13N5O — CID 114053207

IUPAC6-methoxy-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2ccc(C)nc2)nc(N)n1
InChIInChI=1S/C11H13N5O/c1-7-3-4-8(6-13-7)14-9-5-10(17-2)16-11(12)15-9/h3-6H,1-2H3,(H3,12,14,15,16)
InChIKeyQSBZDIIJEUNISR-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.51
Rot. Bonds3

About 6-methoxy-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine

6-methoxy-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine (PubChem CID 114053207) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 6-methoxy-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine
PubChem CID114053207
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name6-methoxy-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2ccc(C)nc2)nc(N)n1
InChIInChI=1S/C11H13N5O/c1-7-3-4-8(6-13-7)14-9-5-10(17-2)16-11(12)15-9/h3-6H,1-2H3,(H3,12,14,15,16)
InChIKeyQSBZDIIJEUNISR-UHFFFAOYSA-N
XLogP1.51
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methoxy-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine (CID 114053207) is 6-methoxy-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methoxy-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methoxy-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine is COc1cc(Nc2ccc(C)nc2)nc(N)n1.
What is the InChIKey of 6-methoxy-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine?
The InChIKey is QSBZDIIJEUNISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-7-3-4-8(6-13-7)14-9-5-10(17-2)16-11(12)15-9/h3-6H,1-2H3,(H3,12,14,15,16).
What are the key properties of 6-methoxy-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine?
6-methoxy-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine has a molecular weight of 231.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114053207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).