2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-4-N-(1-propan-2-ylimidazol-4-yl)-1,3,5-triazine-2,4-diamine

C19H25FN10O — CID 67017158

IUPAC2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-4-N-(1-propan-2-ylimidazol-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(Nc2cn(C(C)C)cn2)nc(N2CCOCC2)n1)c1ncc(F)cn1
InChIInChI=1S/C19H25FN10O/c1-12(2)30-10-15(23-11-30)25-18-26-17(24-13(3)16-21-8-14(20)9-22-16)27-19(28-18)29-4-6-31-7-5-29/h8-13H,4-7H2,1-3H3,(H2,24,25,26,27,28)
InChIKeyNQXBNJZCBRPVNT-UHFFFAOYSA-N
MW428.48 g/mol
LogP2.33
Rot. Bonds7

About 2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-4-N-(1-propan-2-ylimidazol-4-yl)-1,3,5-triazine-2,4-diamine

2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-4-N-(1-propan-2-ylimidazol-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 67017158) has the molecular formula C19H25FN10O and a molecular weight of 428.48 g/mol. Its IUPAC name is 2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-4-N-(1-propan-2-ylimidazol-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-4-N-(1-propan-2-ylimidazol-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID67017158
Molecular FormulaC19H25FN10O
Molecular Weight428.48 g/mol
Exact Mass428.22
IUPAC Name2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-4-N-(1-propan-2-ylimidazol-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(Nc2cn(C(C)C)cn2)nc(N2CCOCC2)n1)c1ncc(F)cn1
InChIInChI=1S/C19H25FN10O/c1-12(2)30-10-15(23-11-30)25-18-26-17(24-13(3)16-21-8-14(20)9-22-16)27-19(28-18)29-4-6-31-7-5-29/h8-13H,4-7H2,1-3H3,(H2,24,25,26,27,28)
InChIKeyNQXBNJZCBRPVNT-UHFFFAOYSA-N
XLogP2.33
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.48
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-4-N-(1-propan-2-ylimidazol-4-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-4-N-(1-propan-2-ylimidazol-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-4-N-(1-propan-2-ylimidazol-4-yl)-1,3,5-triazine-2,4-diamine (CID 67017158) is 2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-4-N-(1-propan-2-ylimidazol-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-4-N-(1-propan-2-ylimidazol-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-4-N-(1-propan-2-ylimidazol-4-yl)-1,3,5-triazine-2,4-diamine is CC(Nc1nc(Nc2cn(C(C)C)cn2)nc(N2CCOCC2)n1)c1ncc(F)cn1.
What is the InChIKey of 2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-4-N-(1-propan-2-ylimidazol-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is NQXBNJZCBRPVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN10O/c1-12(2)30-10-15(23-11-30)25-18-26-17(24-13(3)16-21-8-14(20)9-22-16)27-19(28-18)29-4-6-31-7-5-29/h8-13H,4-7H2,1-3H3,(H2,24,25,26,27,28).
What are the key properties of 2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-4-N-(1-propan-2-ylimidazol-4-yl)-1,3,5-triazine-2,4-diamine?
2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-4-N-(1-propan-2-ylimidazol-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 428.48 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-4-N-(1-propan-2-ylimidazol-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 67017158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).