2-N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine

C15H20FN7O — CID 157019688

IUPAC2-N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
SMILESCc1cnc(Nc2nc(N3CCOCC3)ncc2F)nc1N(C)C
InChIInChI=1S/C15H20FN7O/c1-10-8-17-14(21-13(10)22(2)3)19-12-11(16)9-18-15(20-12)23-4-6-24-7-5-23/h8-9H,4-7H2,1-3H3,(H,17,18,19,20,21)
InChIKeyGMSGWUXOLUCXLB-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.36
Rot. Bonds4

About 2-N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine

2-N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine (PubChem CID 157019688) has the molecular formula C15H20FN7O and a molecular weight of 333.37 g/mol. Its IUPAC name is 2-N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
PubChem CID157019688
Molecular FormulaC15H20FN7O
Molecular Weight333.37 g/mol
Exact Mass333.17
IUPAC Name2-N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
SMILESCc1cnc(Nc2nc(N3CCOCC3)ncc2F)nc1N(C)C
InChIInChI=1S/C15H20FN7O/c1-10-8-17-14(21-13(10)22(2)3)19-12-11(16)9-18-15(20-12)23-4-6-24-7-5-23/h8-9H,4-7H2,1-3H3,(H,17,18,19,20,21)
InChIKeyGMSGWUXOLUCXLB-UHFFFAOYSA-N
XLogP1.36
TPSA79.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine (CID 157019688) is 2-N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine is Cc1cnc(Nc2nc(N3CCOCC3)ncc2F)nc1N(C)C.
What is the InChIKey of 2-N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The InChIKey is GMSGWUXOLUCXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN7O/c1-10-8-17-14(21-13(10)22(2)3)19-12-11(16)9-18-15(20-12)23-4-6-24-7-5-23/h8-9H,4-7H2,1-3H3,(H,17,18,19,20,21).
What are the key properties of 2-N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
2-N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine has a molecular weight of 333.37 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 157019688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).