4-[4-(methoxymethoxymethyl)phenyl]-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine

C18H21N5O2 — CID 167291574

IUPAC4-[4-(methoxymethoxymethyl)phenyl]-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine
SMILESCOCOCc1ccc(-c2nc(Nc3ccn(C)n3)ncc2C)cc1
InChIInChI=1S/C18H21N5O2/c1-13-10-19-18(20-16-8-9-23(2)22-16)21-17(13)15-6-4-14(5-7-15)11-25-12-24-3/h4-10H,11-12H2,1-3H3,(H,19,20,21,22)
InChIKeyUDAPCIVWVRERIZ-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.05
Rot. Bonds7

About 4-[4-(methoxymethoxymethyl)phenyl]-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine

4-[4-(methoxymethoxymethyl)phenyl]-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine (PubChem CID 167291574) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[4-(methoxymethoxymethyl)phenyl]-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(methoxymethoxymethyl)phenyl]-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine
PubChem CID167291574
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name4-[4-(methoxymethoxymethyl)phenyl]-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine
SMILESCOCOCc1ccc(-c2nc(Nc3ccn(C)n3)ncc2C)cc1
InChIInChI=1S/C18H21N5O2/c1-13-10-19-18(20-16-8-9-23(2)22-16)21-17(13)15-6-4-14(5-7-15)11-25-12-24-3/h4-10H,11-12H2,1-3H3,(H,19,20,21,22)
InChIKeyUDAPCIVWVRERIZ-UHFFFAOYSA-N
XLogP3.05
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(methoxymethoxymethyl)phenyl]-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(methoxymethoxymethyl)phenyl]-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine (CID 167291574) is 4-[4-(methoxymethoxymethyl)phenyl]-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(methoxymethoxymethyl)phenyl]-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(methoxymethoxymethyl)phenyl]-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine is COCOCc1ccc(-c2nc(Nc3ccn(C)n3)ncc2C)cc1.
What is the InChIKey of 4-[4-(methoxymethoxymethyl)phenyl]-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine?
The InChIKey is UDAPCIVWVRERIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-13-10-19-18(20-16-8-9-23(2)22-16)21-17(13)15-6-4-14(5-7-15)11-25-12-24-3/h4-10H,11-12H2,1-3H3,(H,19,20,21,22).
What are the key properties of 4-[4-(methoxymethoxymethyl)phenyl]-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine?
4-[4-(methoxymethoxymethyl)phenyl]-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine has a molecular weight of 339.40 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methoxymethoxymethyl)phenyl]-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 167291574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).