4-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-[1-(methoxymethyl)imidazol-4-yl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C18H23FN10O2 — CID 154210786

IUPAC4-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-[1-(methoxymethyl)imidazol-4-yl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCOCn1cnc(N(c2nc(N)nc(N3CCOCC3)n2)[C@@H](C)c2ncc(F)cn2)c1
InChIInChI=1S/C18H23FN10O2/c1-12(15-21-7-13(19)8-22-15)29(14-9-27(10-23-14)11-30-2)18-25-16(20)24-17(26-18)28-3-5-31-6-4-28/h7-10,12H,3-6,11H2,1-2H3,(H2,20,24,25,26)/t12-/m0/s1
InChIKeyBHVMVYJTLXVAJV-LBPRGKRZSA-N
MW430.45 g/mol
LogP0.92
Rot. Bonds7

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

4-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-[1-(methoxymethyl)imidazol-4-yl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 154210786) has the molecular formula C18H23FN10O2 and a molecular weight of 430.45 g/mol. Its IUPAC name is 4-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-[1-(methoxymethyl)imidazol-4-yl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-[1-(methoxymethyl)imidazol-4-yl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID154210786
Molecular FormulaC18H23FN10O2
Molecular Weight430.45 g/mol
Exact Mass430.20
IUPAC Name4-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-[1-(methoxymethyl)imidazol-4-yl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCOCn1cnc(N(c2nc(N)nc(N3CCOCC3)n2)[C@@H](C)c2ncc(F)cn2)c1
InChIInChI=1S/C18H23FN10O2/c1-12(15-21-7-13(19)8-22-15)29(14-9-27(10-23-14)11-30-2)18-25-16(20)24-17(26-18)28-3-5-31-6-4-28/h7-10,12H,3-6,11H2,1-2H3,(H2,20,24,25,26)/t12-/m0/s1
InChIKeyBHVMVYJTLXVAJV-LBPRGKRZSA-N
XLogP0.92
TPSA133.23 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.45
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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

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Related Compounds

1-(4-{4-[2-(2,4-Dimethyl-imidazol-1-yl)-pyrimidin-4-yl]-2,6-dimethyl-piperazin-1-yl}-pyrimidin-2-yl)-ethanol
CID 10136152
1-(4-{2,6-Dimethyl-4-[2-(4-methyl-imidazol-1-yl)-pyrimidin-4-yl]-piperazin-1-yl}-pyrimidin-2-yl)-ethanol
CID 10157477
5-[4-(2-Methylimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 44158465
5-(8-Ethyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
CID 127049341
5-(6-Morpholin-4-yl-9-propan-2-ylpurin-2-yl)pyrimidin-2-amine
CID 162658201
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
{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-[(1S)-1-(5-Fluoropyrimidin-2-yl)ethyl]-N'-(1-isopropyl-1H-imidazol-4-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 44548072
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

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-[1-(methoxymethyl)imidazol-4-yl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-[1-(methoxymethyl)imidazol-4-yl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 154210786) is 4-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-[1-(methoxymethyl)imidazol-4-yl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-[1-(methoxymethyl)imidazol-4-yl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-[1-(methoxymethyl)imidazol-4-yl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is COCn1cnc(N(c2nc(N)nc(N3CCOCC3)n2)[C@@H](C)c2ncc(F)cn2)c1.
What is the InChIKey of 4-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-[1-(methoxymethyl)imidazol-4-yl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is BHVMVYJTLXVAJV-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H23FN10O2/c1-12(15-21-7-13(19)8-22-15)29(14-9-27(10-23-14)11-30-2)18-25-16(20)24-17(26-18)28-3-5-31-6-4-28/h7-10,12H,3-6,11H2,1-2H3,(H2,20,24,25,26)/t12-/m0/s1.
What are the key properties of 4-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-[1-(methoxymethyl)imidazol-4-yl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
4-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-[1-(methoxymethyl)imidazol-4-yl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 430.45 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-[1-(methoxymethyl)imidazol-4-yl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 154210786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).