6-(methoxymethyl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyrimidin-4-amine

C18H19N5O2 — CID 56752997

IUPAC6-(methoxymethyl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyrimidin-4-amine
SMILESCOCc1cc(NCc2cccnc2Oc2ccc(C)nc2)ncn1
InChIInChI=1S/C18H19N5O2/c1-13-5-6-16(10-20-13)25-18-14(4-3-7-19-18)9-21-17-8-15(11-24-2)22-12-23-17/h3-8,10,12H,9,11H2,1-2H3,(H,21,22,23)
InChIKeyVJCULJAXNTVDTE-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.13
Rot. Bonds7

About 6-(methoxymethyl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyrimidin-4-amine

6-(methoxymethyl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyrimidin-4-amine (PubChem CID 56752997) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-(methoxymethyl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyrimidin-4-amine
PubChem CID56752997
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name6-(methoxymethyl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyrimidin-4-amine
SMILESCOCc1cc(NCc2cccnc2Oc2ccc(C)nc2)ncn1
InChIInChI=1S/C18H19N5O2/c1-13-5-6-16(10-20-13)25-18-14(4-3-7-19-18)9-21-17-8-15(11-24-2)22-12-23-17/h3-8,10,12H,9,11H2,1-2H3,(H,21,22,23)
InChIKeyVJCULJAXNTVDTE-UHFFFAOYSA-N
XLogP3.13
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(methoxymethyl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-(methoxymethyl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyrimidin-4-amine (CID 56752997) is 6-(methoxymethyl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(methoxymethyl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(methoxymethyl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyrimidin-4-amine is COCc1cc(NCc2cccnc2Oc2ccc(C)nc2)ncn1.
What is the InChIKey of 6-(methoxymethyl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyrimidin-4-amine?
The InChIKey is VJCULJAXNTVDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-13-5-6-16(10-20-13)25-18-14(4-3-7-19-18)9-21-17-8-15(11-24-2)22-12-23-17/h3-8,10,12H,9,11H2,1-2H3,(H,21,22,23).
What are the key properties of 6-(methoxymethyl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyrimidin-4-amine?
6-(methoxymethyl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyrimidin-4-amine has a molecular weight of 337.38 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 56752997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).