N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine

C11H15N5O — CID 80878427

IUPACN-methyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine
SMILESCNc1cc(Oc2c(C)nn(C)c2C)ncn1
InChIInChI=1S/C11H15N5O/c1-7-11(8(2)16(4)15-7)17-10-5-9(12-3)13-6-14-10/h5-6H,1-4H3,(H,12,13,14)
InChIKeyNFVTZWBVKKEZAM-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.66
Rot. Bonds3

About N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine

N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine (PubChem CID 80878427) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine
PubChem CID80878427
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC NameN-methyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine
SMILESCNc1cc(Oc2c(C)nn(C)c2C)ncn1
InChIInChI=1S/C11H15N5O/c1-7-11(8(2)16(4)15-7)17-10-5-9(12-3)13-6-14-10/h5-6H,1-4H3,(H,12,13,14)
InChIKeyNFVTZWBVKKEZAM-UHFFFAOYSA-N
XLogP1.66
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine?
The IUPAC name of N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine (CID 80878427) is N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine is CNc1cc(Oc2c(C)nn(C)c2C)ncn1.
What is the InChIKey of N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine?
The InChIKey is NFVTZWBVKKEZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-7-11(8(2)16(4)15-7)17-10-5-9(12-3)13-6-14-10/h5-6H,1-4H3,(H,12,13,14).
What are the key properties of N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine?
N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine has a molecular weight of 233.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine is sourced from PubChem (CID 80878427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).