4-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2-methylphenol;methane

C26H37N5O — CID 161424485

IUPAC4-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2-methylphenol;methane
SMILESC.Cc1cc(CNCC2CCC(Nc3nc(N(C)C)c4ccccc4n3)CC2)ccc1O
InChIInChI=1S/C25H33N5O.CH4/c1-17-14-19(10-13-23(17)31)16-26-15-18-8-11-20(12-9-18)27-25-28-22-7-5-4-6-21(22)24(29-25)30(2)3;/h4-7,10,13-14,18,20,26,31H,8-9,11-12,15-16H2,1-3H3,(H,27,28,29);1H4
InChIKeyVXEGGSLXXVYUJR-UHFFFAOYSA-N
MW435.62 g/mol
LogP5.11
Rot. Bonds7

About 4-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2-methylphenol;methane

4-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2-methylphenol;methane (PubChem CID 161424485) has the molecular formula C26H37N5O and a molecular weight of 435.62 g/mol. Its IUPAC name is 4-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2-methylphenol;methane.

Molecular Properties

Compound Name4-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2-methylphenol;methane
PubChem CID161424485
Molecular FormulaC26H37N5O
Molecular Weight435.62 g/mol
Exact Mass435.30
IUPAC Name4-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2-methylphenol;methane
SMILESC.Cc1cc(CNCC2CCC(Nc3nc(N(C)C)c4ccccc4n3)CC2)ccc1O
InChIInChI=1S/C25H33N5O.CH4/c1-17-14-19(10-13-23(17)31)16-26-15-18-8-11-20(12-9-18)27-25-28-22-7-5-4-6-21(22)24(29-25)30(2)3;/h4-7,10,13-14,18,20,26,31H,8-9,11-12,15-16H2,1-3H3,(H,27,28,29);1H4
InChIKeyVXEGGSLXXVYUJR-UHFFFAOYSA-N
XLogP5.11
TPSA73.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.62
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2-methylphenol;methane with MolForge

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Related Compounds

2-N-[4-[[(4-aminophenyl)methylamino]methyl]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine
CID 89376599
4-N,4-N-dimethyl-2-N-[4-[[(4-phenoxyphenyl)methylamino]methyl]cyclohexyl]quinazoline-2,4-diamine;methane
CID 157442287
2-N-[4-[(furan-3-ylmethylamino)methyl]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine;methane
CID 161444301
2-N-[4-[(1H-indol-3-ylmethylamino)methyl]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine;methane
CID 157372553
2-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-4-(trifluoromethoxy)phenol;methane
CID 157173583
4-N,4-N-dimethyl-2-N-[4-[[(2,3,5,6-tetrafluorophenyl)methylamino]methyl]cyclohexyl]quinazoline-2,4-diamine;molecular hydrogen
CID 142229564
2-N-[4-[[(5-bromo-2-ethoxy-3-methylphenyl)methylamino]methyl]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine
CID 142229936
2-N-[4-[[(2-fluoro-4,5-dimethoxyphenyl)methylamino]methyl]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine;methane
CID 159357773
2-N-[4-[[(2-fluoro-5-methoxyphenyl)methylamino]methyl]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine;methane
CID 160651399
4-N,4-N-dimethyl-2-N-[4-[[(2,4,6-triethoxyphenyl)methylamino]methyl]cyclohexyl]quinazoline-2,4-diamine
CID 70995700
3-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2,6-dimethoxyphenol
CID 70995703
1-(cyclohexylmethyl)-3-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]thiourea
CID 87612122

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2-methylphenol;methane?
The IUPAC name of 4-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2-methylphenol;methane (CID 161424485) is 4-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2-methylphenol;methane.
What is the SMILES notation for 4-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2-methylphenol;methane?
The canonical SMILES for 4-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2-methylphenol;methane is C.Cc1cc(CNCC2CCC(Nc3nc(N(C)C)c4ccccc4n3)CC2)ccc1O.
What is the InChIKey of 4-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2-methylphenol;methane?
The InChIKey is VXEGGSLXXVYUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O.CH4/c1-17-14-19(10-13-23(17)31)16-26-15-18-8-11-20(12-9-18)27-25-28-22-7-5-4-6-21(22)24(29-25)30(2)3;/h4-7,10,13-14,18,20,26,31H,8-9,11-12,15-16H2,1-3H3,(H,27,28,29);1H4.
What are the key properties of 4-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2-methylphenol;methane?
4-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2-methylphenol;methane has a molecular weight of 435.62 g/mol, XLogP of 5.11, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2-methylphenol;methane is sourced from PubChem (CID 161424485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).