N-[5-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine

C29H30N6 — CID 141270433

IUPACN-[5-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESCc1ccc(N2CCN(C3CCc4ccccc43)CC2)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C29H30N6/c1-21-8-10-24(19-27(21)33-29-31-14-12-26(32-29)23-6-4-13-30-20-23)34-15-17-35(18-16-34)28-11-9-22-5-2-3-7-25(22)28/h2-8,10,12-14,19-20,28H,9,11,15-18H2,1H3,(H,31,32,33)
InChIKeyTYKAIYIWYARFRV-UHFFFAOYSA-N
MW462.60 g/mol
LogP5.40
Rot. Bonds5

About N-[5-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine

N-[5-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine (PubChem CID 141270433) has the molecular formula C29H30N6 and a molecular weight of 462.60 g/mol. Its IUPAC name is N-[5-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[5-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
PubChem CID141270433
Molecular FormulaC29H30N6
Molecular Weight462.60 g/mol
Exact Mass462.25
IUPAC NameN-[5-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESCc1ccc(N2CCN(C3CCc4ccccc43)CC2)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C29H30N6/c1-21-8-10-24(19-27(21)33-29-31-14-12-26(32-29)23-6-4-13-30-20-23)34-15-17-35(18-16-34)28-11-9-22-5-2-3-7-25(22)28/h2-8,10,12-14,19-20,28H,9,11,15-18H2,1H3,(H,31,32,33)
InChIKeyTYKAIYIWYARFRV-UHFFFAOYSA-N
XLogP5.40
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.60
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-1-N-[1-[5-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]ethenyl]-3-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,3-diamine
CID 144506773
(4-cyclopentylpiperazin-1-yl)-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methanone
CID 67214224
4-methyl-N-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 155688874
4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonyl chloride
CID 87660156
4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 11361652
4-amino-5-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169326877
N-[2-methyl-5-[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]triazol-1-yl]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 56643500
N-[5-[4-(4-methoxyphenyl)triazol-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 102443864
6-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide
CID 155688875
4-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]methyl]piperazin-1-yl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 168872621
N-benzhydryl-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 67214313
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(1-methylpyrrolidin-3-yl)amino]benzamide
CID 11202429

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of N-[5-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine (CID 141270433) is N-[5-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-[5-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-[5-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine is Cc1ccc(N2CCN(C3CCc4ccccc43)CC2)cc1Nc1nccc(-c2cccnc2)n1.
What is the InChIKey of N-[5-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is TYKAIYIWYARFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6/c1-21-8-10-24(19-27(21)33-29-31-14-12-26(32-29)23-6-4-13-30-20-23)34-15-17-35(18-16-34)28-11-9-22-5-2-3-7-25(22)28/h2-8,10,12-14,19-20,28H,9,11,15-18H2,1H3,(H,31,32,33).
What are the key properties of N-[5-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine?
N-[5-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 462.60 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 141270433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).