2-N-[(1S)-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 44548072

IUPAC2-N-[(1S)-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(C)n1cnc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)nc(N3CCOCC3)n2)c1
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)/t13-/m0/s1
InChIKeyNQXBNJZCBRPVNT-ZDUSSCGKSA-N
MW428.48 g/mol
LogP2.33
Rot. Bonds7

About 2-N-[(1S)-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-[(1S)-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 44548072) has the molecular formula C19H25FN10O and a molecular weight of 428.48 g/mol. Its IUPAC name is 2-N-[(1S)-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-[(1S)-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 CID44548072
Molecular FormulaC19H25FN10O
Molecular Weight428.48 g/mol
Exact Mass428.22
IUPAC Name2-N-[(1S)-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(C)n1cnc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)nc(N3CCOCC3)n2)c1
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)/t13-/m0/s1
InChIKeyNQXBNJZCBRPVNT-ZDUSSCGKSA-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-[(1S)-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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Related Compounds

5-[4-(2-Methylimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 44158465
N2-[(1s)-1-(5-Fluoropyrimidin-2-Yl)ethyl]-N4-(1-Methylimidazol-4-Yl)-6-Morpholino-1,3,5-Triazine-2,4-Diamine
CID 67300255
Pyrimidine, 5-fluoro-4-(4-methylimidazol-1-yl)-2-(4-morpholyl)-
CID 621876
N-cyclopropyl-9-(2-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine
CID 10409040
{4-[(4-{[(1S)-1-(5-Fluoropyrimidin-2-yl)ethyl]amino}-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1H-imidazol-1-yl}acetonitrile
CID 44548071
N-(1-Ethyl-1H-imidazol-4-yl)-N'-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 44548236
2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 46175368
2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-5-methoxy-4-N-(1-methylimidazol-4-yl)pyrimidine-2,4-diamine
CID 46175457
2,4-Pyrimidinediamine, N2-[1-(5-fluoro-2-pyrimidinyl)ethyl]-5-methyl-N4-(1-methyl-1H-imidazol-4-yl)-
CID 46175460
5-fluoro-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)pyrimidine-2,4-diamine
CID 46175549
5-fluoro-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 46175553
N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-N4-(1-methyl-1H-imidazol-4-yl)pyrimidine-2,4,6-triamine
CID 46175643

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1S)-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-[(1S)-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 44548072) is 2-N-[(1S)-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-[(1S)-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-[(1S)-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(C)n1cnc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 2-N-[(1S)-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-ZDUSSCGKSA-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)/t13-/m0/s1.
What are the key properties of 2-N-[(1S)-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-[(1S)-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-[(1S)-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 44548072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).