2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-4-N-[4-(methoxymethyl)-1,3-oxazol-5-yl]-5,6-dimethylpyrimidine-2,4-diamine

C20H24FN5O2 — CID 10126492

IUPAC2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-4-N-[4-(methoxymethyl)-1,3-oxazol-5-yl]-5,6-dimethylpyrimidine-2,4-diamine
SMILESCCN(Cc1cccc(F)c1)c1nc(C)c(C)c(Nc2ocnc2COC)n1
InChIInChI=1S/C20H24FN5O2/c1-5-26(10-15-7-6-8-16(21)9-15)20-23-14(3)13(2)18(25-20)24-19-17(11-27-4)22-12-28-19/h6-9,12H,5,10-11H2,1-4H3,(H,23,24,25)
InChIKeyDASONNZNUFGCMV-UHFFFAOYSA-N
MW385.44 g/mol
LogP4.14
Rot. Bonds8

About 2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-4-N-[4-(methoxymethyl)-1,3-oxazol-5-yl]-5,6-dimethylpyrimidine-2,4-diamine

2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-4-N-[4-(methoxymethyl)-1,3-oxazol-5-yl]-5,6-dimethylpyrimidine-2,4-diamine (PubChem CID 10126492) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-4-N-[4-(methoxymethyl)-1,3-oxazol-5-yl]-5,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-4-N-[4-(methoxymethyl)-1,3-oxazol-5-yl]-5,6-dimethylpyrimidine-2,4-diamine
PubChem CID10126492
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-4-N-[4-(methoxymethyl)-1,3-oxazol-5-yl]-5,6-dimethylpyrimidine-2,4-diamine
SMILESCCN(Cc1cccc(F)c1)c1nc(C)c(C)c(Nc2ocnc2COC)n1
InChIInChI=1S/C20H24FN5O2/c1-5-26(10-15-7-6-8-16(21)9-15)20-23-14(3)13(2)18(25-20)24-19-17(11-27-4)22-12-28-19/h6-9,12H,5,10-11H2,1-4H3,(H,23,24,25)
InChIKeyDASONNZNUFGCMV-UHFFFAOYSA-N
XLogP4.14
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-4-N-[4-(methoxymethyl)-1,3-oxazol-5-yl]-5,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-4-N-[4-(methoxymethyl)-1,3-oxazol-5-yl]-5,6-dimethylpyrimidine-2,4-diamine (CID 10126492) is 2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-4-N-[4-(methoxymethyl)-1,3-oxazol-5-yl]-5,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-4-N-[4-(methoxymethyl)-1,3-oxazol-5-yl]-5,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-4-N-[4-(methoxymethyl)-1,3-oxazol-5-yl]-5,6-dimethylpyrimidine-2,4-diamine is CCN(Cc1cccc(F)c1)c1nc(C)c(C)c(Nc2ocnc2COC)n1.
What is the InChIKey of 2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-4-N-[4-(methoxymethyl)-1,3-oxazol-5-yl]-5,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is DASONNZNUFGCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c1-5-26(10-15-7-6-8-16(21)9-15)20-23-14(3)13(2)18(25-20)24-19-17(11-27-4)22-12-28-19/h6-9,12H,5,10-11H2,1-4H3,(H,23,24,25).
What are the key properties of 2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-4-N-[4-(methoxymethyl)-1,3-oxazol-5-yl]-5,6-dimethylpyrimidine-2,4-diamine?
2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-4-N-[4-(methoxymethyl)-1,3-oxazol-5-yl]-5,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 385.44 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-4-N-[4-(methoxymethyl)-1,3-oxazol-5-yl]-5,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 10126492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).