5-iodo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine

C13H18IN5O — CID 66296044

IUPAC5-iodo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCNc1nc(-c2c(C)nn(C)c2C)nc(COC)c1I
InChIInChI=1S/C13H18IN5O/c1-7-10(8(2)19(4)18-7)12-16-9(6-20-5)11(14)13(15-3)17-12/h6H2,1-5H3,(H,15,16,17)
InChIKeyKTIZZFCRSGOSRU-UHFFFAOYSA-N
MW387.23 g/mol
LogP2.29
Rot. Bonds4

About 5-iodo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine

5-iodo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 66296044) has the molecular formula C13H18IN5O and a molecular weight of 387.23 g/mol. Its IUPAC name is 5-iodo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID66296044
Molecular FormulaC13H18IN5O
Molecular Weight387.23 g/mol
Exact Mass387.06
IUPAC Name5-iodo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCNc1nc(-c2c(C)nn(C)c2C)nc(COC)c1I
InChIInChI=1S/C13H18IN5O/c1-7-10(8(2)19(4)18-7)12-16-9(6-20-5)11(14)13(15-3)17-12/h6H2,1-5H3,(H,15,16,17)
InChIKeyKTIZZFCRSGOSRU-UHFFFAOYSA-N
XLogP2.29
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine (CID 66296044) is 5-iodo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine is CNc1nc(-c2c(C)nn(C)c2C)nc(COC)c1I.
What is the InChIKey of 5-iodo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is KTIZZFCRSGOSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18IN5O/c1-7-10(8(2)19(4)18-7)12-16-9(6-20-5)11(14)13(15-3)17-12/h6H2,1-5H3,(H,15,16,17).
What are the key properties of 5-iodo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
5-iodo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 387.23 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 66296044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).