2-N-[4-methoxy-6-(oxan-4-yl)-3-pyridinyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C17H20F3N5O2 — CID 71460831

IUPAC2-N-[4-methoxy-6-(oxan-4-yl)-3-pyridinyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cnc(C3CCOCC3)cc2OC)ncc1C(F)(F)F
InChIInChI=1S/C17H20F3N5O2/c1-21-15-11(17(18,19)20)8-23-16(25-15)24-13-9-22-12(7-14(13)26-2)10-3-5-27-6-4-10/h7-10H,3-6H2,1-2H3,(H2,21,23,24,25)
InChIKeyMDHNREUJXZPREE-UHFFFAOYSA-N
MW383.37 g/mol
LogP3.58
Rot. Bonds5

About 2-N-[4-methoxy-6-(oxan-4-yl)-3-pyridinyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-[4-methoxy-6-(oxan-4-yl)-3-pyridinyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 71460831) has the molecular formula C17H20F3N5O2 and a molecular weight of 383.37 g/mol. Its IUPAC name is 2-N-[4-methoxy-6-(oxan-4-yl)-3-pyridinyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-methoxy-6-(oxan-4-yl)-3-pyridinyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID71460831
Molecular FormulaC17H20F3N5O2
Molecular Weight383.37 g/mol
Exact Mass383.16
IUPAC Name2-N-[4-methoxy-6-(oxan-4-yl)-3-pyridinyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cnc(C3CCOCC3)cc2OC)ncc1C(F)(F)F
InChIInChI=1S/C17H20F3N5O2/c1-21-15-11(17(18,19)20)8-23-16(25-15)24-13-9-22-12(7-14(13)26-2)10-3-5-27-6-4-10/h7-10H,3-6H2,1-2H3,(H2,21,23,24,25)
InChIKeyMDHNREUJXZPREE-UHFFFAOYSA-N
XLogP3.58
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-[4-methoxy-6-(oxan-4-yl)-3-pyridinyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[4-methoxy-6-(oxan-4-yl)-3-pyridinyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 71460831) is 2-N-[4-methoxy-6-(oxan-4-yl)-3-pyridinyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[4-methoxy-6-(oxan-4-yl)-3-pyridinyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[4-methoxy-6-(oxan-4-yl)-3-pyridinyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(Nc2cnc(C3CCOCC3)cc2OC)ncc1C(F)(F)F.
What is the InChIKey of 2-N-[4-methoxy-6-(oxan-4-yl)-3-pyridinyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is MDHNREUJXZPREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O2/c1-21-15-11(17(18,19)20)8-23-16(25-15)24-13-9-22-12(7-14(13)26-2)10-3-5-27-6-4-10/h7-10H,3-6H2,1-2H3,(H2,21,23,24,25).
What are the key properties of 2-N-[4-methoxy-6-(oxan-4-yl)-3-pyridinyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-[4-methoxy-6-(oxan-4-yl)-3-pyridinyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 383.37 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-methoxy-6-(oxan-4-yl)-3-pyridinyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 71460831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).