5-(fluoromethyl)-4-N-methyl-2-N-[5-methyl-1-(oxan-3-yl)pyrazol-4-yl]pyrimidine-2,4-diamine

C15H21FN6O — CID 126536166

IUPAC5-(fluoromethyl)-4-N-methyl-2-N-[5-methyl-1-(oxan-3-yl)pyrazol-4-yl]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cnn(C3CCCOC3)c2C)ncc1CF
InChIInChI=1S/C15H21FN6O/c1-10-13(8-19-22(10)12-4-3-5-23-9-12)20-15-18-7-11(6-16)14(17-2)21-15/h7-8,12H,3-6,9H2,1-2H3,(H2,17,18,20,21)
InChIKeyBXIPFNAUPIEWDB-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.59
Rot. Bonds5

About 5-(fluoromethyl)-4-N-methyl-2-N-[5-methyl-1-(oxan-3-yl)pyrazol-4-yl]pyrimidine-2,4-diamine

5-(fluoromethyl)-4-N-methyl-2-N-[5-methyl-1-(oxan-3-yl)pyrazol-4-yl]pyrimidine-2,4-diamine (PubChem CID 126536166) has the molecular formula C15H21FN6O and a molecular weight of 320.37 g/mol. Its IUPAC name is 5-(fluoromethyl)-4-N-methyl-2-N-[5-methyl-1-(oxan-3-yl)pyrazol-4-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(fluoromethyl)-4-N-methyl-2-N-[5-methyl-1-(oxan-3-yl)pyrazol-4-yl]pyrimidine-2,4-diamine
PubChem CID126536166
Molecular FormulaC15H21FN6O
Molecular Weight320.37 g/mol
Exact Mass320.18
IUPAC Name5-(fluoromethyl)-4-N-methyl-2-N-[5-methyl-1-(oxan-3-yl)pyrazol-4-yl]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cnn(C3CCCOC3)c2C)ncc1CF
InChIInChI=1S/C15H21FN6O/c1-10-13(8-19-22(10)12-4-3-5-23-9-12)20-15-18-7-11(6-16)14(17-2)21-15/h7-8,12H,3-6,9H2,1-2H3,(H2,17,18,20,21)
InChIKeyBXIPFNAUPIEWDB-UHFFFAOYSA-N
XLogP2.59
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-4-N-methyl-2-N-[5-methyl-1-(oxan-3-yl)pyrazol-4-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-(fluoromethyl)-4-N-methyl-2-N-[5-methyl-1-(oxan-3-yl)pyrazol-4-yl]pyrimidine-2,4-diamine (CID 126536166) is 5-(fluoromethyl)-4-N-methyl-2-N-[5-methyl-1-(oxan-3-yl)pyrazol-4-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(fluoromethyl)-4-N-methyl-2-N-[5-methyl-1-(oxan-3-yl)pyrazol-4-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-(fluoromethyl)-4-N-methyl-2-N-[5-methyl-1-(oxan-3-yl)pyrazol-4-yl]pyrimidine-2,4-diamine is CNc1nc(Nc2cnn(C3CCCOC3)c2C)ncc1CF.
What is the InChIKey of 5-(fluoromethyl)-4-N-methyl-2-N-[5-methyl-1-(oxan-3-yl)pyrazol-4-yl]pyrimidine-2,4-diamine?
The InChIKey is BXIPFNAUPIEWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN6O/c1-10-13(8-19-22(10)12-4-3-5-23-9-12)20-15-18-7-11(6-16)14(17-2)21-15/h7-8,12H,3-6,9H2,1-2H3,(H2,17,18,20,21).
What are the key properties of 5-(fluoromethyl)-4-N-methyl-2-N-[5-methyl-1-(oxan-3-yl)pyrazol-4-yl]pyrimidine-2,4-diamine?
5-(fluoromethyl)-4-N-methyl-2-N-[5-methyl-1-(oxan-3-yl)pyrazol-4-yl]pyrimidine-2,4-diamine has a molecular weight of 320.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-4-N-methyl-2-N-[5-methyl-1-(oxan-3-yl)pyrazol-4-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 126536166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).