6-N-(cyclohexylmethyl)-4-N-(4-fluoro-5-methoxy-2-pyridinyl)-2-N-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine

C23H35FN8O — CID 69286466

IUPAC6-N-(cyclohexylmethyl)-4-N-(4-fluoro-5-methoxy-2-pyridinyl)-2-N-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCC(Nc1nc(NCC2CCCCC2)nc(Nc2cc(F)c(OC)cn2)n1)C1CCCN1
InChIInChI=1S/C23H35FN8O/c1-3-17(18-10-7-11-25-18)28-22-30-21(27-13-15-8-5-4-6-9-15)31-23(32-22)29-20-12-16(24)19(33-2)14-26-20/h12,14-15,17-18,25H,3-11,13H2,1-2H3,(H3,26,27,28,29,30,31,32)
InChIKeyCWLXSLYXEOBGMK-UHFFFAOYSA-N
MW458.59 g/mol
LogP4.09
Rot. Bonds10

About 6-N-(cyclohexylmethyl)-4-N-(4-fluoro-5-methoxy-2-pyridinyl)-2-N-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine

6-N-(cyclohexylmethyl)-4-N-(4-fluoro-5-methoxy-2-pyridinyl)-2-N-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 69286466) has the molecular formula C23H35FN8O and a molecular weight of 458.59 g/mol. Its IUPAC name is 6-N-(cyclohexylmethyl)-4-N-(4-fluoro-5-methoxy-2-pyridinyl)-2-N-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-(cyclohexylmethyl)-4-N-(4-fluoro-5-methoxy-2-pyridinyl)-2-N-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID69286466
Molecular FormulaC23H35FN8O
Molecular Weight458.59 g/mol
Exact Mass458.29
IUPAC Name6-N-(cyclohexylmethyl)-4-N-(4-fluoro-5-methoxy-2-pyridinyl)-2-N-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCC(Nc1nc(NCC2CCCCC2)nc(Nc2cc(F)c(OC)cn2)n1)C1CCCN1
InChIInChI=1S/C23H35FN8O/c1-3-17(18-10-7-11-25-18)28-22-30-21(27-13-15-8-5-4-6-9-15)31-23(32-22)29-20-12-16(24)19(33-2)14-26-20/h12,14-15,17-18,25H,3-11,13H2,1-2H3,(H3,26,27,28,29,30,31,32)
InChIKeyCWLXSLYXEOBGMK-UHFFFAOYSA-N
XLogP4.09
TPSA108.91 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.59
LogP ≤ 54.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 6-N-(cyclohexylmethyl)-4-N-(4-fluoro-5-methoxy-2-pyridinyl)-2-N-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

N2'-(trans-4-aminocyclohexyl)-N6-(3-fluorobenzyl)-5'-methoxy-2,4'-bipyridine-2',6-diamine
CID 66937200
3-(Difluoromethoxy)-5-[2-(3,3-difluoropyrrolidin-1-yl)-6-(3-piperidin-1-ylazetidin-1-yl)pyrimidin-4-yl]pyridin-2-amine
CID 117688790
3-(Difluoromethoxy)-5-[2-(3,3-difluoropyrrolidin-1-yl)-6-[3-(4-fluoropiperidin-1-yl)azetidin-1-yl]pyrimidin-4-yl]pyridin-2-amine
CID 117688799
3-(Difluoromethoxy)-5-[2-(3,3-difluoropyrrolidin-1-yl)-6-[3-(dimethylamino)azetidin-1-yl]pyrimidin-4-yl]pyridin-2-amine
CID 117688801
3-(Difluoromethoxy)-5-[2-(3,3-difluoropyrrolidin-1-yl)-6-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]pyrimidin-4-yl]pyridin-2-amine
CID 117688824
3-(Difluoromethoxy)-5-[6-[3-(4,4-difluoropiperidin-1-yl)azetidin-1-yl]-2-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]pyridin-2-amine
CID 117688853
US11033539, Cpd. No. 3-13
CID 129105476
6-(5-methoxy-3-pyridinyl)-N-[(1R)-1-phenylethyl]pyrazin-2-amine
CID 148305653
(2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-methoxypyridin-2-yl)-2-methylpiperazine-1-carboxamide
CID 162370197
N-ethyl-6-(5-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 81895595
3-[(1-methylimidazol-2-yl)methyl]-N-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide
CID 86769637
N-cyclohexyl-6-(5-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 172438655

Frequently Asked Questions

What is the IUPAC name of 6-N-(cyclohexylmethyl)-4-N-(4-fluoro-5-methoxy-2-pyridinyl)-2-N-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-(cyclohexylmethyl)-4-N-(4-fluoro-5-methoxy-2-pyridinyl)-2-N-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine (CID 69286466) is 6-N-(cyclohexylmethyl)-4-N-(4-fluoro-5-methoxy-2-pyridinyl)-2-N-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-(cyclohexylmethyl)-4-N-(4-fluoro-5-methoxy-2-pyridinyl)-2-N-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-(cyclohexylmethyl)-4-N-(4-fluoro-5-methoxy-2-pyridinyl)-2-N-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine is CCC(Nc1nc(NCC2CCCCC2)nc(Nc2cc(F)c(OC)cn2)n1)C1CCCN1.
What is the InChIKey of 6-N-(cyclohexylmethyl)-4-N-(4-fluoro-5-methoxy-2-pyridinyl)-2-N-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is CWLXSLYXEOBGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35FN8O/c1-3-17(18-10-7-11-25-18)28-22-30-21(27-13-15-8-5-4-6-9-15)31-23(32-22)29-20-12-16(24)19(33-2)14-26-20/h12,14-15,17-18,25H,3-11,13H2,1-2H3,(H3,26,27,28,29,30,31,32).
What are the key properties of 6-N-(cyclohexylmethyl)-4-N-(4-fluoro-5-methoxy-2-pyridinyl)-2-N-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine?
6-N-(cyclohexylmethyl)-4-N-(4-fluoro-5-methoxy-2-pyridinyl)-2-N-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 458.59 g/mol, XLogP of 4.09, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(cyclohexylmethyl)-4-N-(4-fluoro-5-methoxy-2-pyridinyl)-2-N-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 69286466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).