4-N-tert-butyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine

C9H15FN4 — CID 80768846

IUPAC4-N-tert-butyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NC(C)(C)C)n1
InChIInChI=1S/C9H15FN4/c1-9(2,3)14-7-6(10)5-12-8(11-4)13-7/h5H,1-4H3,(H2,11,12,13,14)
InChIKeyMVSKVLIQKHJVNQ-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.87
Rot. Bonds2

About 4-N-tert-butyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine

4-N-tert-butyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80768846) has the molecular formula C9H15FN4 and a molecular weight of 198.24 g/mol. Its IUPAC name is 4-N-tert-butyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
PubChem CID80768846
Molecular FormulaC9H15FN4
Molecular Weight198.24 g/mol
Exact Mass198.13
IUPAC Name4-N-tert-butyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NC(C)(C)C)n1
InChIInChI=1S/C9H15FN4/c1-9(2,3)14-7-6(10)5-12-8(11-4)13-7/h5H,1-4H3,(H2,11,12,13,14)
InChIKeyMVSKVLIQKHJVNQ-UHFFFAOYSA-N
XLogP1.87
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-tert-butyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine (CID 80768846) is 4-N-tert-butyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-tert-butyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-tert-butyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(F)c(NC(C)(C)C)n1.
What is the InChIKey of 4-N-tert-butyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is MVSKVLIQKHJVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4/c1-9(2,3)14-7-6(10)5-12-8(11-4)13-7/h5H,1-4H3,(H2,11,12,13,14).
What are the key properties of 4-N-tert-butyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
4-N-tert-butyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 198.24 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80768846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).