2-N,4-N-diethyl-6-fluoro-5-methylpyrimidine-2,4-diamine

C9H15FN4 — CID 15274270

IUPAC2-N,4-N-diethyl-6-fluoro-5-methylpyrimidine-2,4-diamine
SMILESCCNc1nc(F)c(C)c(NCC)n1
InChIInChI=1S/C9H15FN4/c1-4-11-8-6(3)7(10)13-9(14-8)12-5-2/h4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyCWUCKVZCRJRBLH-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.79
Rot. Bonds4

About 2-N,4-N-diethyl-6-fluoro-5-methylpyrimidine-2,4-diamine

2-N,4-N-diethyl-6-fluoro-5-methylpyrimidine-2,4-diamine (PubChem CID 15274270) has the molecular formula C9H15FN4 and a molecular weight of 198.24 g/mol. Its IUPAC name is 2-N,4-N-diethyl-6-fluoro-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-diethyl-6-fluoro-5-methylpyrimidine-2,4-diamine
PubChem CID15274270
Molecular FormulaC9H15FN4
Molecular Weight198.24 g/mol
Exact Mass198.13
IUPAC Name2-N,4-N-diethyl-6-fluoro-5-methylpyrimidine-2,4-diamine
SMILESCCNc1nc(F)c(C)c(NCC)n1
InChIInChI=1S/C9H15FN4/c1-4-11-8-6(3)7(10)13-9(14-8)12-5-2/h4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyCWUCKVZCRJRBLH-UHFFFAOYSA-N
XLogP1.79
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-diethyl-6-fluoro-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-diethyl-6-fluoro-5-methylpyrimidine-2,4-diamine (CID 15274270) is 2-N,4-N-diethyl-6-fluoro-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-diethyl-6-fluoro-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-diethyl-6-fluoro-5-methylpyrimidine-2,4-diamine is CCNc1nc(F)c(C)c(NCC)n1.
What is the InChIKey of 2-N,4-N-diethyl-6-fluoro-5-methylpyrimidine-2,4-diamine?
The InChIKey is CWUCKVZCRJRBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4/c1-4-11-8-6(3)7(10)13-9(14-8)12-5-2/h4-5H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 2-N,4-N-diethyl-6-fluoro-5-methylpyrimidine-2,4-diamine?
2-N,4-N-diethyl-6-fluoro-5-methylpyrimidine-2,4-diamine has a molecular weight of 198.24 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-diethyl-6-fluoro-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 15274270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).