5-fluoro-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine

C10H17FN4 — CID 80793731

IUPAC5-fluoro-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
SMILESCCC(CC)N(C)c1nc(N)ncc1F
InChIInChI=1S/C10H17FN4/c1-4-7(5-2)15(3)9-8(11)6-13-10(12)14-9/h6-7H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeyQMNZSEYCQOUUFL-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.82
Rot. Bonds4

About 5-fluoro-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine

5-fluoro-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine (PubChem CID 80793731) has the molecular formula C10H17FN4 and a molecular weight of 212.27 g/mol. Its IUPAC name is 5-fluoro-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
PubChem CID80793731
Molecular FormulaC10H17FN4
Molecular Weight212.27 g/mol
Exact Mass212.14
IUPAC Name5-fluoro-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
SMILESCCC(CC)N(C)c1nc(N)ncc1F
InChIInChI=1S/C10H17FN4/c1-4-7(5-2)15(3)9-8(11)6-13-10(12)14-9/h6-7H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeyQMNZSEYCQOUUFL-UHFFFAOYSA-N
XLogP1.82
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine (CID 80793731) is 5-fluoro-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine is CCC(CC)N(C)c1nc(N)ncc1F.
What is the InChIKey of 5-fluoro-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine?
The InChIKey is QMNZSEYCQOUUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4/c1-4-7(5-2)15(3)9-8(11)6-13-10(12)14-9/h6-7H,4-5H2,1-3H3,(H2,12,13,14).
What are the key properties of 5-fluoro-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine?
5-fluoro-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine has a molecular weight of 212.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 80793731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).