5-fluoro-4-N,4-N-dimethyl-2-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-2,4-diamine

C10H13FN6O — CID 72888932

IUPAC5-fluoro-4-N,4-N-dimethyl-2-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1nnc(CNc2ncc(F)c(N(C)C)n2)o1
InChIInChI=1S/C10H13FN6O/c1-6-15-16-8(18-6)5-13-10-12-4-7(11)9(14-10)17(2)3/h4H,5H2,1-3H3,(H,12,13,14)
InChIKeyUDVAOEYDSXPIHP-UHFFFAOYSA-N
MW252.25 g/mol
LogP0.99
Rot. Bonds4

About 5-fluoro-4-N,4-N-dimethyl-2-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-2,4-diamine

5-fluoro-4-N,4-N-dimethyl-2-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 72888932) has the molecular formula C10H13FN6O and a molecular weight of 252.25 g/mol. Its IUPAC name is 5-fluoro-4-N,4-N-dimethyl-2-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N,4-N-dimethyl-2-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-2,4-diamine
PubChem CID72888932
Molecular FormulaC10H13FN6O
Molecular Weight252.25 g/mol
Exact Mass252.11
IUPAC Name5-fluoro-4-N,4-N-dimethyl-2-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1nnc(CNc2ncc(F)c(N(C)C)n2)o1
InChIInChI=1S/C10H13FN6O/c1-6-15-16-8(18-6)5-13-10-12-4-7(11)9(14-10)17(2)3/h4H,5H2,1-3H3,(H,12,13,14)
InChIKeyUDVAOEYDSXPIHP-UHFFFAOYSA-N
XLogP0.99
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N,4-N-dimethyl-2-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N,4-N-dimethyl-2-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-2,4-diamine (CID 72888932) is 5-fluoro-4-N,4-N-dimethyl-2-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N,4-N-dimethyl-2-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N,4-N-dimethyl-2-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-2,4-diamine is Cc1nnc(CNc2ncc(F)c(N(C)C)n2)o1.
What is the InChIKey of 5-fluoro-4-N,4-N-dimethyl-2-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is UDVAOEYDSXPIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN6O/c1-6-15-16-8(18-6)5-13-10-12-4-7(11)9(14-10)17(2)3/h4H,5H2,1-3H3,(H,12,13,14).
What are the key properties of 5-fluoro-4-N,4-N-dimethyl-2-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-2,4-diamine?
5-fluoro-4-N,4-N-dimethyl-2-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 252.25 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N,4-N-dimethyl-2-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 72888932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).