2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine

C24H27N5O — CID 159002538

IUPAC2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine
SMILESCC1=Cc2cc(Nc3ccnc(Nc4cccc(OCCN(C)C)c4)n3)ccc2C1
InChIInChI=1S/C24H27N5O/c1-17-13-18-7-8-21(15-19(18)14-17)26-23-9-10-25-24(28-23)27-20-5-4-6-22(16-20)30-12-11-29(2)3/h4-10,14-16H,11-13H2,1-3H3,(H2,25,26,27,28)
InChIKeyQDAKECOUTKTFEH-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.86
Rot. Bonds8

About 2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine

2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine (PubChem CID 159002538) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine
PubChem CID159002538
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine
SMILESCC1=Cc2cc(Nc3ccnc(Nc4cccc(OCCN(C)C)c4)n3)ccc2C1
InChIInChI=1S/C24H27N5O/c1-17-13-18-7-8-21(15-19(18)14-17)26-23-9-10-25-24(28-23)27-20-5-4-6-22(16-20)30-12-11-29(2)3/h4-10,14-16H,11-13H2,1-3H3,(H2,25,26,27,28)
InChIKeyQDAKECOUTKTFEH-UHFFFAOYSA-N
XLogP4.86
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[3-(dimethylamino)propylsulfonylmethyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine
CID 158428796
4-N-[3-(dimethylamino)propyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 91504160
N-(3-ethoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80905017
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904653
3-[2-(dimethylamino)ethoxy]-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62748054
4-N-(2-methyl-1H-indol-5-yl)-2-N-[3-(2-piperazin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
CID 145496884
4-N-(3-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 112887825
N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine
CID 157345257
4-N-[2-(dimethylamino)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 23653412
2-N-(3-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 23652519
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-5-fluoropyrimidine-2,4-diamine
CID 22060728
2-N-(4-bromophenyl)-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112901881

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine (CID 159002538) is 2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine is CC1=Cc2cc(Nc3ccnc(Nc4cccc(OCCN(C)C)c4)n3)ccc2C1.
What is the InChIKey of 2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine?
The InChIKey is QDAKECOUTKTFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-17-13-18-7-8-21(15-19(18)14-17)26-23-9-10-25-24(28-23)27-20-5-4-6-22(16-20)30-12-11-29(2)3/h4-10,14-16H,11-13H2,1-3H3,(H2,25,26,27,28).
What are the key properties of 2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine?
2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine has a molecular weight of 401.51 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 159002538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).