[8-[1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinolin-4-yl]methanol

C23H23N5O — CID 135217314

IUPAC[8-[1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinolin-4-yl]methanol
SMILESCc1ccc(-c2cc(NCC(C)c3cccc4c(CO)ccnc34)ncn2)cn1
InChIInChI=1S/C23H23N5O/c1-15(19-4-3-5-20-18(13-29)8-9-24-23(19)20)11-26-22-10-21(27-14-28-22)17-7-6-16(2)25-12-17/h3-10,12,14-15,29H,11,13H2,1-2H3,(H,26,27,28)
InChIKeyFEOVGIAJNWTLJE-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.10
Rot. Bonds6

About [8-[1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinolin-4-yl]methanol

[8-[1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinolin-4-yl]methanol (PubChem CID 135217314) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is [8-[1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinolin-4-yl]methanol.

Molecular Properties

Compound Name[8-[1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinolin-4-yl]methanol
PubChem CID135217314
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name[8-[1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinolin-4-yl]methanol
SMILESCc1ccc(-c2cc(NCC(C)c3cccc4c(CO)ccnc34)ncn2)cn1
InChIInChI=1S/C23H23N5O/c1-15(19-4-3-5-20-18(13-29)8-9-24-23(19)20)11-26-22-10-21(27-14-28-22)17-7-6-16(2)25-12-17/h3-10,12,14-15,29H,11,13H2,1-2H3,(H,26,27,28)
InChIKeyFEOVGIAJNWTLJE-UHFFFAOYSA-N
XLogP4.10
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [8-[1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinolin-4-yl]methanol with MolForge

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Related Compounds

6-(6-methyl-3-pyridinyl)-N-[(2S)-2-(4-methylquinazolin-8-yl)propyl]pyrimidin-4-amine;sulfane
CID 157078811
8-[(2S)-1-[[6-[6-amino-5-(hydroxymethyl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;sulfane
CID 158899251
8-[(2S)-1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinolin-2-amine;sulfane
CID 161091361
N-methyl-8-[1-[[6-[6-[2-(methylamino)ethylamino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide
CID 130428762
8-[(2S)-1-[[6-[6-[2-(2-hydroxyethylamino)ethylamino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide
CID 118982725
3-imidazol-1-yl-N-methyl-8-[(2S)-1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide
CID 118982768
8-[(2S)-1-[[6-[5-(hydroxymethyl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide
CID 118982910
N-methyl-8-[(2S)-1-[[6-[5-methyl-6-(methylamino)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide
CID 118982913
8-[1-[[6-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide
CID 123592013
N-methyl-8-[1-[[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide
CID 123955080
N-methyl-8-[(2S)-1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]-3-morpholin-4-ylquinoline-4-carboxamide
CID 118982772
8-[(2S)-1-[[6-[2-(dimethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide
CID 118982808

Frequently Asked Questions

What is the IUPAC name of [8-[1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinolin-4-yl]methanol?
The IUPAC name of [8-[1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinolin-4-yl]methanol (CID 135217314) is [8-[1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinolin-4-yl]methanol.
What is the SMILES notation for [8-[1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinolin-4-yl]methanol?
The canonical SMILES for [8-[1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinolin-4-yl]methanol is Cc1ccc(-c2cc(NCC(C)c3cccc4c(CO)ccnc34)ncn2)cn1.
What is the InChIKey of [8-[1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinolin-4-yl]methanol?
The InChIKey is FEOVGIAJNWTLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-15(19-4-3-5-20-18(13-29)8-9-24-23(19)20)11-26-22-10-21(27-14-28-22)17-7-6-16(2)25-12-17/h3-10,12,14-15,29H,11,13H2,1-2H3,(H,26,27,28).
What are the key properties of [8-[1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinolin-4-yl]methanol?
[8-[1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinolin-4-yl]methanol has a molecular weight of 385.47 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinolin-4-yl]methanol is sourced from PubChem (CID 135217314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).