2-N-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine

C12H16FN5O — CID 106378499

IUPAC2-N-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NCc2ncc(CC)o2)n1
InChIInChI=1S/C12H16FN5O/c1-3-8-5-15-10(19-8)7-16-11-9(13)6-17-12(18-11)14-4-2/h5-6H,3-4,7H2,1-2H3,(H2,14,16,17,18)
InChIKeyDVPIVSIHQYGQOQ-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.21
Rot. Bonds6

About 2-N-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine

2-N-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine (PubChem CID 106378499) has the molecular formula C12H16FN5O and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-N-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine
PubChem CID106378499
Molecular FormulaC12H16FN5O
Molecular Weight265.29 g/mol
Exact Mass265.13
IUPAC Name2-N-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NCc2ncc(CC)o2)n1
InChIInChI=1S/C12H16FN5O/c1-3-8-5-15-10(19-8)7-16-11-9(13)6-17-12(18-11)14-4-2/h5-6H,3-4,7H2,1-2H3,(H2,14,16,17,18)
InChIKeyDVPIVSIHQYGQOQ-UHFFFAOYSA-N
XLogP2.21
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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CID 103946693
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CID 104969953
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CID 106375375
CID 106375375

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine (CID 106378499) is 2-N-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine is CCNc1ncc(F)c(NCc2ncc(CC)o2)n1.
What is the InChIKey of 2-N-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine?
The InChIKey is DVPIVSIHQYGQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5O/c1-3-8-5-15-10(19-8)7-16-11-9(13)6-17-12(18-11)14-4-2/h5-6H,3-4,7H2,1-2H3,(H2,14,16,17,18).
What are the key properties of 2-N-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine?
2-N-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine has a molecular weight of 265.29 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 106378499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).