6-ethoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine

C14H18N4O — CID 66325638

IUPAC6-ethoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
SMILESCCOc1ncnc(NCc2ccc(C)nc2)c1C
InChIInChI=1S/C14H18N4O/c1-4-19-14-11(3)13(17-9-18-14)16-8-12-6-5-10(2)15-7-12/h5-7,9H,4,8H2,1-3H3,(H,16,17,18)
InChIKeyNOPORQZEDAPXLT-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.50
Rot. Bonds5

About 6-ethoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine

6-ethoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine (PubChem CID 66325638) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-ethoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
PubChem CID66325638
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name6-ethoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
SMILESCCOc1ncnc(NCc2ccc(C)nc2)c1C
InChIInChI=1S/C14H18N4O/c1-4-19-14-11(3)13(17-9-18-14)16-8-12-6-5-10(2)15-7-12/h5-7,9H,4,8H2,1-3H3,(H,16,17,18)
InChIKeyNOPORQZEDAPXLT-UHFFFAOYSA-N
XLogP2.50
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine (CID 66325638) is 6-ethoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine is CCOc1ncnc(NCc2ccc(C)nc2)c1C.
What is the InChIKey of 6-ethoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine?
The InChIKey is NOPORQZEDAPXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-4-19-14-11(3)13(17-9-18-14)16-8-12-6-5-10(2)15-7-12/h5-7,9H,4,8H2,1-3H3,(H,16,17,18).
What are the key properties of 6-ethoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine?
6-ethoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine has a molecular weight of 258.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 66325638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).