5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine

C13H21FN4O — CID 80795951

IUPAC5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(N(C)CC2CCCO2)n1
InChIInChI=1S/C13H21FN4O/c1-3-6-15-13-16-8-11(14)12(17-13)18(2)9-10-5-4-7-19-10/h8,10H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyHERGTBOSRRIYJU-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.05
Rot. Bonds6

About 5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine

5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80795951) has the molecular formula C13H21FN4O and a molecular weight of 268.34 g/mol. Its IUPAC name is 5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80795951
Molecular FormulaC13H21FN4O
Molecular Weight268.34 g/mol
Exact Mass268.17
IUPAC Name5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(N(C)CC2CCCO2)n1
InChIInChI=1S/C13H21FN4O/c1-3-6-15-13-16-8-11(14)12(17-13)18(2)9-10-5-4-7-19-10/h8,10H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyHERGTBOSRRIYJU-UHFFFAOYSA-N
XLogP2.05
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine (CID 80795951) is 5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(F)c(N(C)CC2CCCO2)n1.
What is the InChIKey of 5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is HERGTBOSRRIYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4O/c1-3-6-15-13-16-8-11(14)12(17-13)18(2)9-10-5-4-7-19-10/h8,10H,3-7,9H2,1-2H3,(H,15,16,17).
What are the key properties of 5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine?
5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 268.34 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80795951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).